[DB] 1-'[H,C]'-2-(2,3,4,5,6-penta'GH'phenyl)propan-1-amine by Asch

Query Query

Results

Date

176 substances in Reaxys

2018-08-17 22h:46m:49s (UTC)

GH GH

NH 2

1. Query

L GH

[H,C]

Search as: As drawn, Ignore stereo, No salts, No mixtures, No isotopes, No charges, No radicals, No additional rings ))

Copyright ÂŠ 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

1/43

2018-08-17 22:50:42

Reaxys ID 1099624 View in Reaxys

1/176 CAS Registry Number: 582-22-9 Chemical Name: 2-phenylpropylamine Linear Structure Formula: H2NCH2CH(CH3)C6H5 Molecular Formula: C9H13N Molecular Weight: 135.209 Type of Substance: isocyclic InChI Key: AXORVIZLPOGIRG-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3195645 View in Reaxys

2/176 CAS Registry Number: 17596-79-1 Chemical Name: (2S)-2-phenyl-1-propanamine; (S)-(-)-(α-methylbenzyl)methylamine; (S)-(-)-α-methylphenylethylamine; S(-)-α-methylphenethylamine; (S)-α-methylphenethylamine; (S)-α-methylphenetylamine; (S)-1-amino-2-phenylpropane Linear Structure Formula: C6H5CH(CH3)CH2NH2 Molecular Formula: C9H13N Molecular Weight: 135.209 Type of Substance: isocyclic InChI Key: AXORVIZLPOGIRG-MRVPVSSYSA-N Note:

H NH 2

Reaxys ID 3195646 View in Reaxys

3/176 CAS Registry Number: 582-22-9; 17596-79-1; 28163-64-6; 45789-52-4 Chemical Name: (R)-2-phenylpropylamine; (R)-(+)-α-methylphenethylamine; R(+)-α-methylphenethylamine; (R)-α-methylphenethylamine; (R)-2-methyl-2-phenylethylamine; (R)-(+)-b-methylphenethylamine; (R)-2-phenylpropane-1-amine Linear Structure Formula: C6H5CH(CH3)CH2NH2 Molecular Formula: C9H13N Molecular Weight: 135.209 Type of Substance: isocyclic InChI Key: AXORVIZLPOGIRG-QMMMGPOBSA-N Note:

H NH 2

Reaxys ID 2935687 View in Reaxys

4/176 CAS Registry Number: 5266-88-6 Chemical Name: 2-o-tolyl-propylamine; 2-o-Tolyl-propylamin; α.2Dimethyl-phenaethylamin Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: QVOBWGRFQSLGEN-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2935853 View in Reaxys

5/176

2/43

2018-08-17 22:50:42

CAS Registry Number: 21906-17-2 Chemical Name: 3-phenyl-2-amino butane; 3-phenyl-2-butylamine; α,αDimethylphenethylamin; 2-Phenyl-3-aminobutan; 2-Phenyl-3-butylamin Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: BKRHEVJTTWAYFJ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3196222 View in Reaxys

6/176 CAS Registry Number: 21906-17-2; 33603-05-3; 45877-09-6; 45877-10-9; 49833-99-0; 49834-00-6; 121651-47-6 Chemical Name: (1S.2S)-1-methyl-2-phenyl-propylamine; (1S.2S)-1-Methyl-2-phenyl-propylamin; D-erythro-2-Amino-3-phenyl-butan Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: BKRHEVJTTWAYFJ-BDAKNGLRSA-N Note:

H NH 2

Reaxys ID 3196223 View in Reaxys

7/176 CAS Registry Number: 21906-17-2; 33603-05-3; 45877-09-6; 45877-10-9; 49833-99-0; 49834-00-6; 121651-47-6 Chemical Name: (1R,2S)-1-methyl-2-phenyl-propylamine; (1R,2S)-1-Methyl-2-phenyl-propylamin; Dg-threo-2-Amino-3-phenylbutan Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: BKRHEVJTTWAYFJ-RKDXNWHRSA-N Note:

H NH 2

Reaxys ID 3196224 View in Reaxys

8/176 CAS Registry Number: 121651-47-6 Chemical Name: 1,2-cis-dimethyl-2-phenylethylamine; (2S,3R)-2amino-3-phenylbutane; (1S,2R)-1-methyl-2-phenyl-propylamine; (1S,2R)-1-Methyl-2-phenyl-propylamin; Lg-threo-2-Amino-3-phenylbutan Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: BKRHEVJTTWAYFJ-IUCAKERBSA-N Note:

H NH 2

3/43

2018-08-17 22:50:42

Reaxys ID 3196225 View in Reaxys

9/176 CAS Registry Number: 33603-05-3 Chemical Name: (1R,2R)-1-methyl-2-phenyl-propylamine; (1R,2R)-1-Methyl-2-phenyl-propylamin; L-erythro-2-Amino-3-phenyl-butan; (2R,3R)-2-Amino-3-phenyl-butan Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: BKRHEVJTTWAYFJ-DTWKUNHWSA-N Note:

H NH 2

Reaxys ID 3196226 View in Reaxys

10/176 CAS Registry Number: 21906-17-2; 33603-05-3; 45877-09-6; 45877-10-9; 49833-99-0; 49834-00-6; 121651-47-6 Chemical Name: 1,2-trans-dimethyl-2-phenylethylamine; (dl)-erythro-3-phenyl-2-butylamine; (1RS,2RS)-1-methyl-2-phenyl-propylamine; (1RS,2RS)-1-Methyl-2-phenyl-propylamin; (+-)-erythro-3Amino-2-phenyl-butan; erythro-3-Phenyl-2-butylamin Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic Type and Modification: racemate InChI Key: BKRHEVJTTWAYFJ-BDAKNGLRSA-N Note:

H NH 2 H

Reaxys ID 3196227 View in Reaxys

11/176 CAS Registry Number: 21906-17-2; 33603-05-3; 45877-09-6; 45877-10-9; 49833-99-0; 49834-00-6; 121651-47-6 Chemical Name: (dl)-threo-3-phenyl-2-butylamine; (+-)-threo-3-amino-2-phenyl-butane; (+-)-threo-3-Amino-2-phenyl-butan; threo-3Phenyl-2-butylamin Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic Type and Modification: racemate InChI Key: BKRHEVJTTWAYFJ-RKDXNWHRSA-N Note:

H NH 2 H

Reaxys ID 3237537 View in Reaxys

12/176 CAS Registry Number: 4395-75-9 Chemical Name: 2-p-tolyl-propylamine; 2-p-Tolyl-propylamin Linear Structure Formula: C8H10NCH3CH2 Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: OSYBUIYEZRXUGS-UHFFFAOYSA-N Note:

NH 2

4/43

2018-08-17 22:50:42

Reaxys ID 8614471 View in Reaxys

13/176 Chemical Name: (S)-2-(p-tolyl)propan-1-amine Linear Structure Formula: C8H10NCH3CH2 Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: OSYBUIYEZRXUGS-SECBINFHSA-N Note:

NH 2

Reaxys ID 8614472 View in Reaxys

14/176 Chemical Name: (R)-2-(p-tolyl)propan-1-amine Linear Structure Formula: C8H10NCH3CH2 Molecular Formula: C10H15N Molecular Weight: 149.236 Type of Substance: isocyclic InChI Key: OSYBUIYEZRXUGS-VIFPVBQESA-N Note:

NH 2

Reaxys ID 27079235 View in Reaxys

15/176 CAS Registry Number: 1644120-23-9 Chemical Name: (S)-2-(m-tolyl)propan-1-amine Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 InChI Key: HAAKRJFFUVWYAE-SECBINFHSA-N Note:

NH 2

Reaxys ID 27079237 View in Reaxys

16/176 CAS Registry Number: 1644120-25-1 Chemical Name: (S)-2-(o-tolyl)propan-1-amine Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 InChI Key: QVOBWGRFQSLGEN-SECBINFHSA-N Note:

NH 2

Reaxys ID 27079240 View in Reaxys

17/176 CAS Registry Number: 1644120-22-8 Chemical Name: (R)-2-(m-tolyl)propan-1-amine Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 InChI Key: HAAKRJFFUVWYAE-VIFPVBQESA-N Note:

NH 2

5/43

2018-08-17 22:50:42

Reaxys ID 27079247 View in Reaxys

18/176 CAS Registry Number: 1644120-24-0 Chemical Name: (R)-2-(o-tolyl)propan-1-amine Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 InChI Key: QVOBWGRFQSLGEN-VIFPVBQESA-N Note:

NH 2

Reaxys ID 27079249 View in Reaxys

19/176 CAS Registry Number: 5266-87-5 Chemical Name: 2-(m-tolyl)propan-1-amine Linear Structure Formula: C10H15N Molecular Formula: C10H15N Molecular Weight: 149.236 InChI Key: HAAKRJFFUVWYAE-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2802678 View in Reaxys

20/176 Chemical Name: 2-Amino-α-methylphenethylamine; o-Amino-α-methyl-phenaethylamin Linear Structure Formula: C9H14N2 Molecular Formula: C9H14N2 Molecular Weight: 150.224 Type of Substance: isocyclic InChI Key: TVPSYCMJPAGFIT-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2963650 View in Reaxys

21/176 CAS Registry Number: 59182-62-6 Chemical Name: 4-(α-amino-isopropyl)-aniline; 4-(α-Amino-isopropyl)-anilin; 4-(2-amino-1-methyl-ethyl)-phenyl amine; p-Aminophenylpropylamin Linear Structure Formula: C9H14N2 Molecular Formula: C9H14N2 Molecular Weight: 150.224 Type of Substance: isocyclic InChI Key: RDARQCCLTDLTCW-UHFFFAOYSA-N Note:

NH 2

H 2N

Reaxys ID 2085833 View in Reaxys

22/176 CAS Registry Number: 16655-79-1 Chemical Name: 3-(α-Amino-isopropyl)-phenol; α-Methyl-3-hydroxyphenethylamin; 2-Methyl-2-(3-hydroxyphenyl)ethylamin Linear Structure Formula: C9H13NO Molecular Formula: C9H13NO Molecular Weight: 151.208 Type of Substance: isocyclic InChI Key: OBEUPDFDQCEGDR-UHFFFAOYSA-N

NH 2

6/43

2018-08-17 22:50:42

Note:

Reaxys ID 3238409 View in Reaxys

23/176 CAS Registry Number: 14959-82-1 Chemical Name: 2-(α-Amino-isopropyl)-phenol; 2-amino-isopropylphenol Linear Structure Formula: C9H13NO Molecular Formula: C9H13NO Molecular Weight: 151.208 Type of Substance: isocyclic InChI Key: MBYOGFLNHGZSSO-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3240787 View in Reaxys

24/176 CAS Registry Number: 90765-58-5 Chemical Name: 4-(α-Amino-isopropyl)-phenol Linear Structure Formula: C9H13NO Molecular Formula: C9H13NO Molecular Weight: 151.208 Type of Substance: isocyclic InChI Key: ZGYDQXZKRDEGFR-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3240575 View in Reaxys

25/176 CAS Registry Number: 456-01-9 Chemical Name: 2-(4-fluoro-phenyl)-propylamine; 2-(4-Fluor-phenyl)-propylamin; 2-(4-Fluoro-phenyl)-propylamine Linear Structure Formula: C9H12FN Molecular Formula: C9H12FN Molecular Weight: 153.199 Type of Substance: isocyclic InChI Key: YRBRJLWZJHRXBG-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 23059858 View in Reaxys

26/176 CAS Registry Number: 1344144-93-9 Chemical Name: (S)-2-(4-fluorophenyl)propan-1-amine Linear Structure Formula: C9H12FN Molecular Formula: C9H12FN Molecular Weight: 153.199 InChI Key: YRBRJLWZJHRXBG-SSDOTTSWSA-N Note:

NH 2

Reaxys ID 3046161 View in Reaxys

27/176

7/43

2018-08-17 22:50:42

Chemical Name: 2-(2,5-dimethyl-phenyl)-propylamine; 2-(2,5-Dimethyl-phenyl)-propylamin; α-Methyl-(2.5-dimethyl-phenyl)-ethylamin; α-Methyl-(2,5-dimethylphenyl)-ethylamin Linear Structure Formula: C11H17N Molecular Formula: C11H17N Molecular Weight: 163.263 Type of Substance: isocyclic InChI Key: MXMUUCHDVKEPLH-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3236498 View in Reaxys

28/176 Chemical Name: 2-(2,4-dimethyl-phenyl)-propylamine; 2-(2,4-Dimethyl-phenyl)-propylamin Linear Structure Formula: C11H17N Molecular Formula: C11H17N Molecular Weight: 163.263 Type of Substance: isocyclic InChI Key: LMGRFZDYUHOKNR-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3239222 View in Reaxys

29/176 Chemical Name: 2-(4-ethyl-phenyl)-propylamine; 2-(4-Aethyl-phenyl)-propylamin Linear Structure Formula: C11H17N Molecular Formula: C11H17N Molecular Weight: 163.263 Type of Substance: isocyclic InChI Key: HJUNOJCYTKLCKV-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2830383 View in Reaxys

30/176 CAS Registry Number: 51558-14-6; 127201-17-6; 127201-18-7 Chemical Name: 1-amino-2-(4-methoxyphenyl)-propane; 2-(4-Methoxyphenyl)propylamine; 2-(4-methoxy-phenyl)-propylamine; 2-(4Methoxy-phenyl)-propylamin; 4-methoxy-α-methylbenzeneethanamine; (+-)-1-amino-2-(4-methoxyphenyl) propane; 1-amino-2-(4-methoxyphenyl)propane Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 Type of Substance: isocyclic InChI Key: LUOOSDUSUYCCFY-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2830400 View in Reaxys

31/176

8/43

2018-08-17 22:50:42

CAS Registry Number: 5090-33-5 Chemical Name: 2-(3-methoxyphenyl)propan-1-amine; 2-(m-methoxyphenyl)propan-1-amine; 2-(3-methoxyphenyl)propylamine; 2-(3-methoxy-phenyl)-propylamine; 2-(3-Methoxy-phenyl)-propylamin; [1-(3-methoxy-phenyl)-ethyl]-methyl-amine; 2-(3-methoxyphenyl)-propan-1-amine Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 Type of Substance: isocyclic InChI Key: DUTAQBNSDZCPND-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3239246 View in Reaxys

32/176 CAS Registry Number: 188053-29-4 Chemical Name: 2-(ortho-methoxyphenyl)propan-1-amine; 2-(methoxyphenyl)-1-propanamine; 2-(2-methoxy-phenyl)-propylamine; 2-(2-Methoxy-phenyl)-propylamin Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 Type of Substance: isocyclic InChI Key: OSTZPSFPBMRGRP-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 7869206 View in Reaxys

33/176 Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 Type of Substance: isocyclic InChI Key: CRJDMQZLGJORIN-YUMQZZPRSA-N Note:

NH 2

Reaxys ID 27079234 View in Reaxys

34/176 CAS Registry Number: 127201-17-6 Chemical Name: (S)-2-(p-methoxyphenyl)propan-1-amine Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 InChI Key: LUOOSDUSUYCCFY-MRVPVSSYSA-N Note:

NH 2

Reaxys ID 27079236 View in Reaxys

35/176

9/43

2018-08-17 22:50:42

CAS Registry Number: 1644151-67-6 Chemical Name: (S)-2-(m-methoxyphenyl)propan-1-amine Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 InChI Key: DUTAQBNSDZCPND-MRVPVSSYSA-N Note:

NH 2

Reaxys ID 27079238 View in Reaxys

36/176 CAS Registry Number: 1644120-26-2 Chemical Name: (R)-2-(o-methoxyphenyl)propan-1-amine Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 InChI Key: OSTZPSFPBMRGRP-QMMMGPOBSA-N Note:

NH 2

Reaxys ID 27079239 View in Reaxys

37/176 CAS Registry Number: 1394330-87-0 Chemical Name: (R)-2-(4-methoxyphenyl)propan-1-amine; (R)-2-(pmethoxyphenyl)propan-1-amine Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 InChI Key: LUOOSDUSUYCCFY-QMMMGPOBSA-N Note:

NH 2

Reaxys ID 27079242 View in Reaxys

38/176 CAS Registry Number: 754913-55-8 Chemical Name: (R)-2-(m-methoxyphenyl)propan-1-amine Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 InChI Key: DUTAQBNSDZCPND-QMMMGPOBSA-N Note:

NH 2

Reaxys ID 27079248 View in Reaxys

39/176 CAS Registry Number: 1644120-27-3 Chemical Name: (S)-2-(o-methoxyphenyl)propan-1-amine Linear Structure Formula: C10H15NO Molecular Formula: C10H15NO Molecular Weight: 165.235 InChI Key: OSTZPSFPBMRGRP-MRVPVSSYSA-N Note:

NH 2

10/43

2018-08-17 22:50:42

Reaxys ID 3128541 View in Reaxys

40/176

CAS Registry Number: 66432-25-5; 767565-43-5 Chemical Name: (+/-)-beta-methyldopamine; (+/-) α-methyldopamine; α-methyldopamine; 4-(α-amino-isopropyl)-pyrocatechol; 4-(α-Amino-isopropyl)-brenzcatechin; 4-(α-Amino-isopropyl)-resorcin Linear Structure Formula: C9H13NO2 Molecular Formula: C9H13NO2 Molecular Weight: 167.208 Type of Substance: isocyclic InChI Key: IDLSQOHXWOVTGJ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3243079 View in Reaxys

41/176 CAS Registry Number: 1049971-33-6 Chemical Name: 2-(α-amino-isopropyl)-hydroquinone; 2-(α-Aminoisopropyl)-hydrochinon Linear Structure Formula: C9H13NO2 Molecular Formula: C9H13NO2 Molecular Weight: 167.208 Type of Substance: isocyclic InChI Key: AXOBVZKJOOCZJL-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3243480 View in Reaxys

42/176 Chemical Name: 3-(α-amino-isopropyl)-pyrocatechol; 3-(α-Amino-isopropyl)-brenzcatechin Linear Structure Formula: C9H13NO2 Molecular Formula: C9H13NO2 Molecular Weight: 167.208 Type of Substance: isocyclic InChI Key: SUQTUQIJLDLCFV-UHFFFAOYSA-N Note:

NH 2

OH OH

Reaxys ID 3249009 View in Reaxys

43/176 Chemical Name: 2-(α-amino-isopropyl)-resorcinol; 2-(α-Amino-isopropyl)-resorcin Linear Structure Formula: C9H13NO2 Molecular Formula: C9H13NO2 Molecular Weight: 167.208 Type of Substance: isocyclic InChI Key: CQSFBRDXPPUNDY-UHFFFAOYSA-N Note:

NH 2 OH

Reaxys ID 3249856 View in Reaxys

44/176

11/43

2018-08-17 22:50:42

Chemical Name: 5-(α-amino-isopropyl)-resorcinol; 5-(α-Amino-isopropyl)-resorcin Linear Structure Formula: C9H13NO2 Molecular Formula: C9H13NO2 Molecular Weight: 167.208 Type of Substance: isocyclic InChI Key: TZTZTIKCJGDURK-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 6055499 View in Reaxys

45/176 CAS Registry Number: 213616-73-0 Chemical Name: (S)-2-(3,4-dihydroxyphenyl)propylamine Linear Structure Formula: C9H13NO2 Molecular Formula: C9H13NO2 Molecular Weight: 167.208 Type of Substance: isocyclic InChI Key: IDLSQOHXWOVTGJ-ZCFIWIBFSA-N Note:

NH 2

Reaxys ID 6055500 View in Reaxys

46/176 CAS Registry Number: 213616-74-1 Chemical Name: (R)-2-(3,4-dihydroxyphenyl)propylamine Linear Structure Formula: C9H13NO2 Molecular Formula: C9H13NO2 Molecular Weight: 167.208 Type of Substance: isocyclic InChI Key: IDLSQOHXWOVTGJ-LURJTMIESA-N Note:

NH 2

Reaxys ID 2964990 View in Reaxys

47/176 CAS Registry Number: 21894-65-5 Chemical Name: 2-(o-Fluorphenyl)-3-butylamin Linear Structure Formula: C10H14FN Molecular Formula: C10H14FN Molecular Weight: 167.226 Type of Substance: isocyclic InChI Key: CQDILGBHYHSMTP-UHFFFAOYSA-N Note:

F NH 2

Reaxys ID 3047794 View in Reaxys

48/176 CAS Registry Number: 1840-75-1 Chemical Name: 2-(4-Fluorphenyl)-3-amino-butan Linear Structure Formula: C10H14FN Molecular Formula: C10H14FN Molecular Weight: 167.226 Type of Substance: isocyclic InChI Key: CIPINOPHNGWDEZ-UHFFFAOYSA-N Note:

NH 2

12/43

2018-08-17 22:50:42

Reaxys ID 3240576 View in Reaxys

49/176 CAS Registry Number: 4806-79-5 Chemical Name: p-Chloro-b-methylphenylethylamine; 2-(4-chlorophenyl)-propylamine; 2-(4-Chlor-phenyl)-propylamin; 4-chloro-αmethylphenethylamine hydrochloride; [2-(4-chlorophenyl)propyl]amine Linear Structure Formula: C9H12ClN Molecular Formula: C9H12ClN Molecular Weight: 169.654 Type of Substance: isocyclic InChI Key: FLACJAGRDZAFJF-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 5732666 View in Reaxys

50/176 CAS Registry Number: 4806-79-5; 58114-78-6 Chemical Name: (S)-1-amino-2-(4-chlorophenyl)propane Linear Structure Formula: C9H12ClN Molecular Formula: C9H12ClN Molecular Weight: 169.654 Type of Substance: isocyclic InChI Key: FLACJAGRDZAFJF-SSDOTTSWSA-N Note:

NH 2

Reaxys ID 5732667 View in Reaxys

51/176 CAS Registry Number: 4806-79-5; 58114-78-6 Chemical Name: (R)-1-amino-2-(4-chlorophenyl)propane Linear Structure Formula: C9H12ClN Molecular Formula: C9H12ClN Molecular Weight: 169.654 Type of Substance: isocyclic InChI Key: FLACJAGRDZAFJF-ZETCQYMHSA-N Note:

NH 2

Reaxys ID 13701312 View in Reaxys

52/176 NH 2

Chemical Name: 2-(2-chlorophenyl)propan-1-amine Linear Structure Formula: C9H12ClN Molecular Formula: C9H12ClN Molecular Weight: 169.654 InChI Key: SBSAWWPYDYYBSA-UHFFFAOYSA-N Note:

Reaxys ID 23594192 View in Reaxys

53/176 CAS Registry Number: 1082555-06-3 Chemical Name: 2-(3-chlorophenyl) propan-1-amine; 2-(3-chlorophenyl)propan-1-amine; 2-(3-chlorophenyl)propylamine Linear Structure Formula: C9H12ClN Molecular Formula: C9H12ClN Molecular Weight: 169.654

NH 2

13/43

2018-08-17 22:50:42

InChI Key: CUOBYVASRNWRRD-UHFFFAOYSA-N Note:

Reaxys ID 27681526 View in Reaxys

54/176 Chemical Name: (R)-2-(3-chlorophenyl)propan-1-amine Linear Structure Formula: C9H12ClN Molecular Formula: C9H12ClN Molecular Weight: 169.654 InChI Key: CUOBYVASRNWRRD-ZETCQYMHSA-N Note:

NH 2

Reaxys ID 27749494 View in Reaxys

55/176 Chemical Name: (S)-2-(3-chlorophenyl)propan-1-amine Linear Structure Formula: C9H12ClN Molecular Formula: C9H12ClN Molecular Weight: 169.654 InChI Key: CUOBYVASRNWRRD-SSDOTTSWSA-N Note:

NH 2

Reaxys ID 2717828 View in Reaxys

56/176 CAS Registry Number: 3583-62-8 Linear Structure Formula: C12H19N Molecular Formula: C12H19N Molecular Weight: 177.29 Type of Substance: isocyclic InChI Key: KRWRXBILDUJEOP-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3047670 View in Reaxys

57/176 Chemical Name: 2-mesityl-propylamine; 2-Mesityl-propylamin; αMethyl-α-(2,4,6-trimethylphenyl)-ethylamin Linear Structure Formula: C12H19N Molecular Formula: C12H19N Molecular Weight: 177.29 Type of Substance: isocyclic InChI Key: OVRBXABKMLTOQQ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 6387273 View in Reaxys

58/176

14/43

2018-08-17 22:50:42

Chemical Name: 4-Monomethylamino-α,2-dimethylphenethylamine Linear Structure Formula: C11H18N2 Molecular Formula: C11H18N2 Molecular Weight: 178.277 Type of Substance: isocyclic Type and Modification: (+)-enantiomer InChI Key: PAUCMBCLLJQOIZ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2832115 View in Reaxys

59/176 CAS Registry Number: 51558-17-9 Linear Structure Formula: C11H17NO Molecular Formula: C11H17NO Molecular Weight: 179.262 Type of Substance: isocyclic InChI Key: BWUGGEFYBPRBJI-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2964675 View in Reaxys

60/176 CAS Registry Number: 21894-67-7 Chemical Name: 2-(o-Methoxyphenyl)-3-butylamin Linear Structure Formula: C11H17NO Molecular Formula: C11H17NO Molecular Weight: 179.262 Type of Substance: isocyclic InChI Key: PPESXWQTZHVLCL-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2965649 View in Reaxys

61/176 CAS Registry Number: 21894-68-8 Chemical Name: 2-(m-Methoxyphenyl)-3-butylamin Linear Structure Formula: C11H17NO Molecular Formula: C11H17NO Molecular Weight: 179.262 Type of Substance: isocyclic InChI Key: HPBYRNAJVVNPGQ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2965812 View in Reaxys

62/176 CAS Registry Number: 21894-69-9 Chemical Name: 2-(p-Methoxyphenyl)-3-butylamin Linear Structure Formula: C11H17NO Molecular Formula: C11H17NO Molecular Weight: 179.262 Type of Substance: isocyclic InChI Key: YRVZJUUUXSMVNS-UHFFFAOYSA-N Note:

NH 2

15/43

2018-08-17 22:50:42

Reaxys ID 6387278 View in Reaxys

63/176 CAS Registry Number: 101542-54-5 Chemical Name: 4-(2-Amino-1-methylethyl)-2,5-dimethylphenol Linear Structure Formula: C11H17NO Molecular Formula: C11H17NO Molecular Weight: 179.262 Type of Substance: isocyclic InChI Key: VYMDQZKPGFOBLC-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3272801 View in Reaxys

64/176 CAS Registry Number: 59182-61-5 Chemical Name: 2-(4-nitro-phenyl)-propylamine; 2-(4-Nitro-phenyl)-propylamin; 2-(4-nitrophenyl)propylamine Linear Structure Formula: C9H12N2O2 Molecular Formula: C9H12N2O2 Molecular Weight: 180.206 Type of Substance: isocyclic InChI Key: OXHROQJSLGXWIL-UHFFFAOYSA-N Note:

NH 2

O N O

Reaxys ID 9901462 View in Reaxys

65/176 CAS Registry Number: 376594-71-7 Chemical Name: R-2-(4-nitrophenyl)-1-propylamine Linear Structure Formula: C9H12N2O2 Molecular Formula: C9H12N2O2 Molecular Weight: 180.206 Type of Substance: isocyclic InChI Key: OXHROQJSLGXWIL-ZETCQYMHSA-N Note:

NH 2

O N O

Reaxys ID 13490242 View in Reaxys

66/176

O N

Chemical Name: 2-(3-nitrophenyl)propylamine Linear Structure Formula: C9H12N2O2 Molecular Formula: C9H12N2O2 Molecular Weight: 180.206 InChI Key: UTHKVMHBSSKKHR-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 14334941 View in Reaxys

67/176 CAS Registry Number: 158044-99-6 Chemical Name: (2R)-2-(4-nitrophenyl)propylamine Linear Structure Formula: C9H12N2O2 Molecular Formula: C9H12N2O2 Molecular Weight: 180.206 InChI Key: OXHROQJSLGXWIL-SSDOTTSWSA-N Note:

NH 2

O N O

16/43

2018-08-17 22:50:42

Reaxys ID 26673542 View in Reaxys

68/176 NH 2

CAS Registry Number: 1256344-25-8 Chemical Name: 2-(2-nitrophenyl)propylamine Linear Structure Formula: C9H12N2O2 Molecular Formula: C9H12N2O2 Molecular Weight: 180.206 InChI Key: BTPIVOZKGRJHFY-UHFFFAOYSA-N Note:

O N O

Reaxys ID 3257140 View in Reaxys

69/176

CAS Registry Number: 69478-40-6 Chemical Name: 4-(α-Amino-isopropyl)-2-methoxy-phenol Linear Structure Formula: C10H15NO2 Molecular Formula: C10H15NO2 Molecular Weight: 181.235 Type of Substance: isocyclic InChI Key: VJDIJSPVAGJPCO-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 7281384 View in Reaxys

70/176 Chemical Name: erythro-2-Amino-3-(3,4-dihydroxyphenyl)-butan Linear Structure Formula: C10H15NO2 Molecular Formula: C10H15NO2 Molecular Weight: 181.235 Type of Substance: isocyclic Type and Modification: racemate InChI Key: CUAQNPSFYZGWMR-RQJHMYQMSA-N Note:

H NH 2

H HO OH

Reaxys ID 7281385 View in Reaxys

71/176 Chemical Name: threo-2-Amino-3-(3,4-dihydroxyphenyl)-butan Linear Structure Formula: C10H15NO2 Molecular Formula: C10H15NO2 Molecular Weight: 181.235 Type of Substance: isocyclic Type and Modification: racemate InChI Key: CUAQNPSFYZGWMR-RNFRBKRXSA-N Note:

H NH 2

H HO OH

Reaxys ID 13526836 View in Reaxys

72/176 Chemical Name: 1-amino-2-(3-fluoro-4-methoxyphenyl)propane Linear Structure Formula: C10H14FNO Molecular Formula: C10H14FNO Molecular Weight: 183.226 InChI Key: PUSCTSUNIMQAEQ-UHFFFAOYSA-N Note:

NH 2

17/43

2018-08-17 22:50:42

Reaxys ID 24641349 View in Reaxys

73/176 NH 2

Linear Structure Formula: C10H14FNO Molecular Formula: C10H14FNO Molecular Weight: 183.226 InChI Key: VRMJKZWIIHUFHC-UHFFFAOYSA-N Note:

Reaxys ID 2717761 View in Reaxys

74/176 CAS Registry Number: 20110-25-2 Chemical Name: 2-(m-Chlorphenyl)-3-butylamin Linear Structure Formula: C10H14ClN Molecular Formula: C10H14ClN Molecular Weight: 183.681 Type of Substance: isocyclic InChI Key: IILPKSZECJYHTQ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2964341 View in Reaxys

75/176 CAS Registry Number: 20110-27-4 Chemical Name: 2-(p-Chlorphenyl)-3-butylamin Linear Structure Formula: C10H14ClN Molecular Formula: C10H14ClN Molecular Weight: 183.681 Type of Substance: isocyclic InChI Key: QAITWYSBXHCYKZ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2964991 View in Reaxys

76/176 CAS Registry Number: 21906-18-3 Chemical Name: 2-(o-Chlorphenyl)-3-butylamin Linear Structure Formula: C10H14ClN Molecular Formula: C10H14ClN Molecular Weight: 183.681 Type of Substance: isocyclic InChI Key: XRTIATLANYZUMB-UHFFFAOYSA-N Note:

Cl NH 2

Reaxys ID 5734235 View in Reaxys

77/176 CAS Registry Number: 65540-75-2 Chemical Name: 2-(p-Isobutylphenyl)propylamine Linear Structure Formula: C13H21N Molecular Formula: C13H21N Molecular Weight: 191.316 Type of Substance: isocyclic InChI Key: BGYBOKURMFNCMM-UHFFFAOYSA-N Note:

NH 2

18/43

2018-08-17 22:50:42

Reaxys ID 8762233 View in Reaxys

78/176 CAS Registry Number: 211315-00-3 Chemical Name: 2-(4-t-butylphenyl)propylamine Linear Structure Formula: C13H21N Molecular Formula: C13H21N Molecular Weight: 191.316 Type of Substance: isocyclic InChI Key: JRTKZRUOKWPZDA-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 6477259 View in Reaxys

79/176 Chemical Name: (+)4-Dimethylamino-α,2-dimethylphenethylamine Linear Structure Formula: C12H20N2 Molecular Formula: C12H20N2 Molecular Weight: 192.304 Type of Substance: isocyclic Type and Modification: (+)-enantiomer InChI Key: ONVBUMDNMLHXRR-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 6477260 View in Reaxys

80/176 Chemical Name: (-)4-Dimethylamino-α,2-dimethylphenethylamine Linear Structure Formula: C12H20N2 Molecular Formula: C12H20N2 Molecular Weight: 192.304 Type of Substance: isocyclic Type and Modification: (-)-enantiomer InChI Key: ONVBUMDNMLHXRR-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 27164687 View in Reaxys

81/176 Chemical Name: 2-[3-[(dimethylamino)methyl]phenyl]propan-1amine Linear Structure Formula: C12H20N2 Molecular Formula: C12H20N2 Molecular Weight: 192.304 InChI Key: PICKUJAVOOVXMG-UHFFFAOYSA-N Note:

N NH 2

Reaxys ID 18659620 View in Reaxys

82/176 CAS Registry Number: 1072707-67-5 Chemical Name: methyl 3-(2-amino-1-methyl-ethyl)-benzoate Linear Structure Formula: C11H15NO2 Molecular Formula: C11H15NO2 Molecular Weight: 193.246 InChI Key: NWERHSRPWXVHDO-UHFFFAOYSA-N Note:

O NH 2 O

19/43

2018-08-17 22:50:42

Reaxys ID 26780764 View in Reaxys

83/176 Chemical Name: methyl 4-(1-aminopropan-2-yl)benzoate Linear Structure Formula: C11H15NO2 Molecular Formula: C11H15NO2 Molecular Weight: 193.246 InChI Key: UIJNBGGHLRGMTQ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2833351 View in Reaxys

84/176 CAS Registry Number: 51558-21-5 Linear Structure Formula: C12H19NO Molecular Formula: C12H19NO Molecular Weight: 193.289 Type of Substance: isocyclic InChI Key: LUHCFJVJXVKPJB-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3132053 View in Reaxys

85/176 Chemical Name: (1RS,2RS)-1-methyl-2-(4-nitro-phenyl)-propylamine; (1RS,2RS)-1-Methyl-2-(4-nitro-phenyl)-propylamin; (+-)-erythro-2-Amino-3-(4-nitro-phenyl)-butan Linear Structure Formula: C10H14N2O2 Molecular Formula: C10H14N2O2 Molecular Weight: 194.233 Type of Substance: isocyclic Type and Modification: racemate InChI Key: CEGAWPOTPPSAAB-SFYZADRCSA-N Note:

H NH 2 H

O N O

Reaxys ID 2805357 View in Reaxys

86/176 CAS Registry Number: 55174-61-3 Chemical Name: 2-(3,4-dimethoxyphenyl)propan-1-amine; 2-(3,4Dimethoxyphenyl)propylamin; 2-(3,4-dimethoxy-phenyl)-propylamine; 2-(3,4-Dimethoxy-phenyl)-propylamin; 3,4-dimethoxy-α-methylphenethylamine; 1-amino-2-(3'4'-dimethoxyphenyl) propane; 2-(3.4Dimethoxyphenyl)-propylamin Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: RRARQHPQZWUMFW-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3253246 View in Reaxys

87/176

20/43

2018-08-17 22:50:42

CAS Registry Number: 3490-01-5 Chemical Name: 2-(2,5-dimethoxyphenyl)propylamine; 2-(2,5-dimethoxy-phenyl)-propylamine; 2-(2.5-Dimethoxyx-phenyl)-propylamin; 2-(2,5-Dimethoxy-phenyl)-propylamin Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: MWCQGGZRKWDESA-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3253247 View in Reaxys

88/176 CAS Registry Number: 59907-78-7 Chemical Name: 2-(2,4-dimethoxy-phenyl)-propylamine; 2-(2,4-Dimethoxy-phenyl)-propylamin Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: QBJZNTXMWMLITR-UHFFFAOYSA-N Note:

O NH 2

Reaxys ID 3253896 View in Reaxys

89/176 Chemical Name: 2-(2,3-dimethoxy-phenyl)-propylamine; 2-(2,3-Dimethoxy-phenyl)-propylamin Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: UBWAXMVDXAJXOE-UHFFFAOYSA-N Note:

O O

NH 2

Reaxys ID 3262565 View in Reaxys

90/176 CAS Registry Number: 87896-55-7 Chemical Name: 2-(2,6-dimethoxy-phenyl)-propylamine; 2-(2,6-Dimethoxy-phenyl)-propylamin Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: ZNUVRZNROAIMTL-UHFFFAOYSA-N Note:

NH 2 O

Reaxys ID 3262610 View in Reaxys

91/176

21/43

2018-08-17 22:50:42

CAS Registry Number: 129534-96-9 Chemical Name: 2-(3,5-dimethoxy-phenyl)-propylamine; 2-(3,5-Dimethoxy-phenyl)-propylamin Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: LXXLDUVCSGKXFX-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 6056909 View in Reaxys

92/176

CAS Registry Number: 64265-63-0 Chemical Name: (S)-2-(3,4-dimethoxyphenyl)-propan-1-amine; (S)-2-(3,4-dimethoxyphenyl)propylamine; (S)-3,4-dimethoxy-α-methylphenethylamine Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: RRARQHPQZWUMFW-MRVPVSSYSA-N Note:

NH 2

Reaxys ID 6056910 View in Reaxys

93/176

CAS Registry Number: 68225-61-6 Chemical Name: (R)-2-(3,4-dimethoxyphenyl)-propan-1-amine; (R)-2-(3,4-dimethoxyphenyl)propylamine; (R)-3,4-dimethoxy-α-methylphenethylamine; (R)-2-(3,4-dimethoxyphenyl)propan-1-amine Linear Structure Formula: C11H17NO2 Molecular Formula: C11H17NO2 Molecular Weight: 195.261 Type of Substance: isocyclic InChI Key: RRARQHPQZWUMFW-QMMMGPOBSA-N Note:

NH 2

Reaxys ID 19735858 View in Reaxys

94/176 NH 2

CAS Registry Number: 124166-12-7 Chemical Name: 2-(3-(trifluoromethyl)phenyl)propan-1-amine Linear Structure Formula: C10H12F3N Molecular Formula: C10H12F3N Molecular Weight: 203.207 InChI Key: LZHPSFNIFXANNY-UHFFFAOYSA-N Note:

F F F

Reaxys ID 14330245 View in Reaxys

95/176

22/43

2018-08-17 22:50:42

NH 2

CAS Registry Number: 1225838-76-5 Chemical Name: [1-(3,5-dichlorophenyl)ethyl]methylamine Linear Structure Formula: C9H11Cl2N Molecular Formula: C9H11Cl2N Molecular Weight: 204.099 InChI Key: GKRJXFPWEOSJAK-UHFFFAOYSA-N Note:

Reaxys ID 14586687 View in Reaxys

96/176

CAS Registry Number: 880347-60-4 Linear Structure Formula: C9H11Cl2N Molecular Formula: C9H11Cl2N Molecular Weight: 204.099 InChI Key: HSOAEJOOVCXIIL-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 3049714 View in Reaxys

97/176 Chemical Name: 1-<1-Amino-propyl-(2)>-5-methoxy-2,3,4-trimethyl-benzol; 1-(1-Amino-propyl-(2))-5-methoxy-2,3,4-trimethyl-benzol Linear Structure Formula: C13H21NO Molecular Formula: C13H21NO Molecular Weight: 207.316 Type of Substance: isocyclic InChI Key: VLZGNIOSGDCMPB-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2830838 View in Reaxys

98/176 CAS Registry Number: 5112-62-9 Chemical Name: 2-(4-Trimethylsilyl-phenyl)-propylamin Linear Structure Formula: C12H21NSi Molecular Formula: C12H21NSi Molecular Weight: 207.391 Type of Substance: isocyclic InChI Key: XPFQIHCXARMDEM-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2722574 View in Reaxys

99/176 NH 2

CAS Registry Number: 134907-13-4 Linear Structure Formula: C12H19NO2 Molecular Formula: C12H19NO2 Molecular Weight: 209.288 Type of Substance: isocyclic InChI Key: MOXDSNGAJYOOTA-UHFFFAOYSA-N Note:

23/43

2018-08-17 22:50:42

Reaxys ID 3274050 View in Reaxys

100/176

CAS Registry Number: 94564-06-4 Chemical Name: 2-(3,4-dimethoxy-phenyl)-1-methyl-propylamine; 2-(3,4-Dimethoxy-phenyl)-1-methyl-propylamin; 3-Amino-2-(3.4-dimethoxy-phenyl)-butan Linear Structure Formula: C12H19NO2 Molecular Formula: C12H19NO2 Molecular Weight: 209.288 Type of Substance: isocyclic InChI Key: REDIVKCRDWMSQC-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 32448544 View in Reaxys

101/176

Chemical Name: 2-(5-methoxy-2-nitrophenyl)-propylamine Linear Structure Formula: C10H14N2O3 Molecular Formula: C10H14N2O3 Molecular Weight: 210.233 InChI Key: CTVVJRNZDPAUHR-UHFFFAOYSA-N Note:

NH 2

O N O

Reaxys ID 5732668 View in Reaxys

102/176 CAS Registry Number: 256381-13-2 Chemical Name: 2-(4-bromophenyl)propan-1-amine; 2-(4-bromophenyl)-propylamine; 2-(4-bromophenyl)propylamine Linear Structure Formula: BrC6H4CH(CH3)CH2NH2 Molecular Formula: C9H12BrN Molecular Weight: 214.105 Type of Substance: isocyclic InChI Key: HVTXSPFHZMRKMS-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 5732669 View in Reaxys

103/176 Linear Structure Formula: C9H12BrN Molecular Formula: C9H12BrN Molecular Weight: 214.105 Type of Substance: isocyclic InChI Key: HVTXSPFHZMRKMS-SSDOTTSWSA-N Note:

NH 2

Reaxys ID 5732670 View in Reaxys

104/176 Linear Structure Formula: C9H12BrN Molecular Formula: C9H12BrN Molecular Weight: 214.105 Type of Substance: isocyclic InChI Key: HVTXSPFHZMRKMS-ZETCQYMHSA-N Note:

NH 2

24/43

2018-08-17 22:50:42

Reaxys ID 8760801 View in Reaxys

105/176 CAS Registry Number: 337966-00-4 Chemical Name: 2-(ortho-bromophenyl)-2-methyl-ethylamine; 2-(obromophenyl)-2-methyl-ethylamine; 2-(2-bromophenyl)-2-methylethylamine Linear Structure Formula: C9H12BrN Molecular Formula: C9H12BrN Molecular Weight: 214.105 Type of Substance: isocyclic InChI Key: CRNLZUICRPVNBC-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 11251838 View in Reaxys

106/176

Chemical Name: 2-(3-bromophenyl)propan-1-amine; 2-(3-bromophenyl)propylamine Linear Structure Formula: BrC6H4CH(CH3)CH2NH2 Molecular Formula: C9H12BrN Molecular Weight: 214.105 InChI Key: CCOOGMNVMAJJGT-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2971949 View in Reaxys

107/176 NH 2

CAS Registry Number: 20110-29-6 Chemical Name: 2-(m-Trifluormethylphenyl)-3-butylamin Linear Structure Formula: C11H14F3N Molecular Formula: C11H14F3N Molecular Weight: 217.234 Type of Substance: isocyclic InChI Key: ZUNQFKIWPQOCOW-UHFFFAOYSA-N Note:

F F F

Reaxys ID 2974435 View in Reaxys

108/176 CAS Registry Number: 21894-66-6 Chemical Name: 2-(o-Trifluormethylphenyl)-3-butylamin Linear Structure Formula: C11H14F3N Molecular Formula: C11H14F3N Molecular Weight: 217.234 Type of Substance: isocyclic InChI Key: UQBSLKCKICAAGQ-UHFFFAOYSA-N Note:

NH 2

F F

Reaxys ID 2966507 View in Reaxys

109/176 CAS Registry Number: 21894-73-5 Chemical Name: 2-(3,4-Dichlorphenyl)-3-butylamin Linear Structure Formula: C10H13Cl2N Molecular Formula: C10H13Cl2N Molecular Weight: 218.126 Type of Substance: isocyclic

NH 2

25/43

2018-08-17 22:50:42

InChI Key: MJRMWDAVQQNFRN-UHFFFAOYSA-N Note:

Reaxys ID 11419075 View in Reaxys

110/176 Chemical Name: 2-(4-pyrrolidin-1-ylmethyl-phenyl)-propylamine Linear Structure Formula: C14H22N2 Molecular Formula: C14H22N2 Molecular Weight: 218.342 InChI Key: RMHXMDCUQXAVRK-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2728361 View in Reaxys

111/176 NH 2

Linear Structure Formula: C13H21NO2 Molecular Formula: C13H21NO2 Molecular Weight: 223.315 Type of Substance: isocyclic InChI Key: MTAIXXOMFWYAKQ-UHFFFAOYSA-N Note:

Reaxys ID 23709487 View in Reaxys

112/176 NH 2

CAS Registry Number: 313367-04-3 Linear Structure Formula: C13H21NO2 Molecular Formula: C13H21NO2 Molecular Weight: 223.315 InChI Key: ZYAJGDLZQJODPY-UHFFFAOYSA-N Note:

O O

Reaxys ID 2850090 View in Reaxys

113/176

F F

CAS Registry Number: 30465-15-7 Linear Structure Formula: C9H8F5N Molecular Formula: C9H8F5N Molecular Weight: 225.161 Type of Substance: isocyclic InChI Key: HESREKJAIMEFDG-UHFFFAOYSA-N Note:

NH 2

F F

Reaxys ID 2727389 View in Reaxys

114/176

26/43

2018-08-17 22:50:42

CAS Registry Number: 32929-71-8 Linear Structure Formula: C15H17NO Molecular Formula: C15H17NO Molecular Weight: 227.306 Type of Substance: isocyclic InChI Key: DAHADXQXBNBSMW-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2717886 View in Reaxys

115/176 CAS Registry Number: 20110-26-3 Chemical Name: 2-(p-Bromphenyl)-3-butylamin Linear Structure Formula: C10H14BrN Molecular Formula: C10H14BrN Molecular Weight: 228.132 Type of Substance: isocyclic InChI Key: JLUKJRBQYXITRK-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2964489 View in Reaxys

116/176 CAS Registry Number: 21906-21-8 Chemical Name: 2-(m-Bromphenyl)-3-butylamin Linear Structure Formula: C10H14BrN Molecular Formula: C10H14BrN Molecular Weight: 228.132 Type of Substance: isocyclic InChI Key: KGPFNLUUCMBHQI-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2964992 View in Reaxys

117/176 CAS Registry Number: 21906-20-7 Chemical Name: 2-(o-Bromphenyl)-3-butylamin Linear Structure Formula: C10H14BrN Molecular Formula: C10H14BrN Molecular Weight: 228.132 Type of Substance: isocyclic InChI Key: BGFGRMPBCRGZPJ-UHFFFAOYSA-N Note:

Br NH 2

Reaxys ID 8762309 View in Reaxys

118/176 Chemical Name: 2-(o-bromophenyl)-1,2-trans-dimethylethylamine; 2-(ortho-bromophenyl)-1,2-dimethylethylamine; 3-(ortho-bromophenyl)-2-amino-butane Linear Structure Formula: C10H14BrN Molecular Formula: C10H14BrN Molecular Weight: 228.132 Type of Substance: isocyclic Type and Modification: racemate InChI Key: BGFGRMPBCRGZPJ-SFYZADRCSA-N Note:

Br NH 2

27/43

2018-08-17 22:50:42

Reaxys ID 8762310 View in Reaxys

119/176 Chemical Name: 2-(o-bromophenyl)-1,2-cis-dimethylethylamine; 2(ortho-bromophenyl)-1,2-dimethylethylamine Linear Structure Formula: C10H14BrN Molecular Formula: C10H14BrN Molecular Weight: 228.132 Type of Substance: isocyclic Type and Modification: racemate InChI Key: BGFGRMPBCRGZPJ-HTQZYQBOSA-N Note:

Br NH 2

Reaxys ID 2843713 View in Reaxys

120/176 NH 2

Linear Structure Formula: C10H16N2O2S Molecular Formula: C10H16N2O2S Molecular Weight: 228.315 Type of Substance: isocyclic InChI Key: NVFBJDHKMUIPIP-UHFFFAOYSA-N Note:

H N S O

Reaxys ID 21852014 View in Reaxys

121/176 Linear Structure Formula: C9H11BrFN Molecular Formula: C9H11BrFN Molecular Weight: 232.095 InChI Key: QYSZUIJWXUGCLM-ZCFIWIBFSA-N Note:

F NH 2

Reaxys ID 9128810 View in Reaxys

122/176 NH 2

CAS Registry Number: 183660-42-6 Linear Structure Formula: C14H21NO2 Molecular Formula: C14H21NO2 Molecular Weight: 235.326 Type of Substance: isocyclic InChI Key: FHMYAYHDRFAWDN-UHFFFAOYSA-N Note:

O O

Reaxys ID 19896847 View in Reaxys

123/176

28/43

2018-08-17 22:50:42

CAS Registry Number: 1173289-24-1 Chemical Name: (S)-(3-(1-aminopropan-2-yl)phenyl)(phenyl)methanone Linear Structure Formula: C16H17NO Molecular Formula: C16H17NO Molecular Weight: 239.317 InChI Key: GGPQNOXUUQVFEP-GFCCVEGCSA-N Note:

NH 2

Reaxys ID 20447330 View in Reaxys

124/176 NH 2

CAS Registry Number: 771573-45-6 Linear Structure Formula: C16H17NO Molecular Formula: C16H17NO Molecular Weight: 239.317 InChI Key: GGPQNOXUUQVFEP-UHFFFAOYSA-N Note:

Reaxys ID 6293861 View in Reaxys O

125/176 O

Linear Structure Formula: C11H16N2O4 Molecular Formula: C11H16N2O4 Molecular Weight: 240.259 Type of Substance: isocyclic InChI Key: AURUSHWOGRPEIV-UHFFFAOYSA-N Note:

N NH 2

O O

Reaxys ID 5026159 View in Reaxys

126/176 CAS Registry Number: 115852-06-7 Linear Structure Formula: C16H19NO Molecular Formula: C16H19NO Molecular Weight: 241.333 Type of Substance: isocyclic InChI Key: RNEMCWUNAPPKEG-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 13262832 View in Reaxys

127/176

29/43

2018-08-17 22:50:42

Linear Structure Formula: C16H19NO Molecular Formula: C16H19NO Molecular Weight: 241.333 InChI Key: VXLXNKJVLFNEMO-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 21852013 View in Reaxys

128/176 NH 2

Linear Structure Formula: C9H11BrClN Molecular Formula: C9H11BrClN Molecular Weight: 248.55 InChI Key: BQCYLEQLEXLMFS-UHFFFAOYSA-N Note:

Reaxys ID 9130352 View in Reaxys

129/176 NH 2

CAS Registry Number: 141333-37-1 Chemical Name: 3-(cyclopentyloxy)-4-methoxy-α-methylbenzeneethanamine; 2-(3-cyclopentyloxy-4-methoxyphenyl)propylamine; (+-)-3-(cyclopentyloxy)-4-methoxy-α-methylbenzeneethanamine Linear Structure Formula: C15H23NO2 Molecular Formula: C15H23NO2 Molecular Weight: 249.353 Type of Substance: isocyclic InChI Key: LHKIRARKHNCYKY-UHFFFAOYSA-N Note:

O O

Reaxys ID 9130961 View in Reaxys

130/176 NH 2

Linear Structure Formula: C14H21NO3 Molecular Formula: C14H21NO3 Molecular Weight: 251.326 Type of Substance: heterocyclic InChI Key: YBUHPIONNGIEJP-UHFFFAOYSA-N Note:

O O

Reaxys ID 13490565 View in Reaxys

131/176

30/43

2018-08-17 22:50:42

NH 2

Chemical Name: {1-[2-(4-Chlorophenoxy)phenyl]ethyl}-methylamine Linear Structure Formula: C15H16ClNO Molecular Formula: C15H16ClNO Molecular Weight: 261.751 InChI Key: PHFJCOQDUQMOCN-UHFFFAOYSA-N Note:

Reaxys ID 2733197 View in Reaxys

132/176 CAS Registry Number: 13662-43-6 Linear Structure Formula: C17H29NO Molecular Formula: C17H29NO Molecular Weight: 263.423 Type of Substance: isocyclic InChI Key: LRFGUDURAUYLOZ-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 11949271 View in Reaxys

133/176 NH 2

Chemical Name: {1-[4,5-Dimethyl-2-(1-phenyl-ethyl)-phenyl]-ethyl}-methyl-amine Linear Structure Formula: C19H25N Molecular Formula: C19H25N Molecular Weight: 267.414 InChI Key: GLTOTVSZJPWINH-UHFFFAOYSA-N Note:

Reaxys ID 11949269 View in Reaxys

134/176 NH 2

Chemical Name: (1-{2-[1-(4-Methoxy-phenyl)-ethyl]-phenyl}-ethyl)-methyl-amine Linear Structure Formula: C18H23NO Molecular Formula: C18H23NO Molecular Weight: 269.387 InChI Key: YBWOJZSHIBQZGA-UHFFFAOYSA-N Note:

31/43

2018-08-17 22:50:42

Reaxys ID 24593964 View in Reaxys

135/176

Linear Structure Formula: C11H11F6N Molecular Formula: C11H11F6N Molecular Weight: 271.205 InChI Key: SETJRCFUOWRHMF-UHFFFAOYSA-N Note:

F NH 2

F F

Reaxys ID 9134776 View in Reaxys

136/176 NH 2

Linear Structure Formula: C14H19F2NO2 Molecular Formula: C14H19F2NO2 Molecular Weight: 271.307 Type of Substance: isocyclic InChI Key: NCERWVMPPJYMTP-UHFFFAOYSA-N Note:

O O

Reaxys ID 3152592 View in Reaxys

137/176

Chemical Name: 2-(4-benzyloxy-3-methoxy-phenyl)-propylamine; 2-(4-Benzyloxy-3-methoxy-phenyl)-propylamin Linear Structure Formula: C17H21NO2 Molecular Formula: C17H21NO2 Molecular Weight: 271.359 Type of Substance: isocyclic InChI Key: SZDWIIPXCRLKTR-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 11949264 View in Reaxys

138/176 NH 2

Chemical Name: (1-{2-[1-(4-Chloro-phenyl)-ethyl]-phenyl}-ethyl)methyl-amine Linear Structure Formula: C17H20ClN Molecular Formula: C17H20ClN Molecular Weight: 273.806 InChI Key: BXZLTQCKLUDSQO-UHFFFAOYSA-N Note:

32/43

2018-08-17 22:50:42

Reaxys ID 11949267 View in Reaxys

139/176 NH 2

Chemical Name: (1-{2-[1-(3-Chloro-phenyl)-ethyl]-phenyl}-ethyl)methyl-amine Linear Structure Formula: C17H20ClN Molecular Formula: C17H20ClN Molecular Weight: 273.806 InChI Key: NFOWANGGNWRCJA-UHFFFAOYSA-N Note:

Reaxys ID 2964626 View in Reaxys

140/176 CAS Registry Number: 74051-14-2 Chemical Name: 2-(p-Iodphenyl)-3-butylamin Linear Structure Formula: C10H14IN Molecular Formula: C10H14IN Molecular Weight: 275.132 Type of Substance: isocyclic InChI Key: TTYTUFQIBMIVJG-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2964628 View in Reaxys

141/176 CAS Registry Number: 74051-13-1 Chemical Name: 2-(m-Iodphenyl)-3-butylamin Linear Structure Formula: C10H14IN Molecular Formula: C10H14IN Molecular Weight: 275.132 Type of Substance: isocyclic InChI Key: OJVNHUSKBDNLFH-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 2964993 View in Reaxys

142/176 CAS Registry Number: 21894-64-4 Chemical Name: 2-(o-Iodphenyl)-3-butylamin Linear Structure Formula: C10H14IN Molecular Formula: C10H14IN Molecular Weight: 275.132 Type of Substance: isocyclic InChI Key: HRLDTBHUBOARRX-UHFFFAOYSA-N Note:

I NH 2

Reaxys ID 9135423 View in Reaxys

143/176

33/43

2018-08-17 22:50:42

NH 2

Linear Structure Formula: C17H25NO2 Molecular Formula: C17H25NO2 Molecular Weight: 275.391 Type of Substance: isocyclic InChI Key: HCMQEUORZHONDG-UHFFFAOYSA-N Note:

O O

Reaxys ID 13281478 View in Reaxys

144/176 NH 2

Chemical Name: 1,2-dimethyl-2-(3,5-di tert-butyl-4-hydroxyphenyl)ethylamine; 1,2-dimethyl-2-(3,5-di tert.butyl-4-hydroxyphenyl)ethylamine Linear Structure Formula: C18H31NO Molecular Formula: C18H31NO Molecular Weight: 277.45 InChI Key: YVGLBFTTZRYXHF-UHFFFAOYSA-N Note:

Reaxys ID 13490787 View in Reaxys

145/176 NH 2

Chemical Name: {1-[2-(4-Chlorophenoxy)-5-fluorophenyl]-ethyl}methylamine Linear Structure Formula: C15H15ClFNO Molecular Formula: C15H15ClFNO Molecular Weight: 279.742 InChI Key: ALSWJXDJFGZQMZ-UHFFFAOYSA-N Note:

Reaxys ID 9138081 View in Reaxys

146/176 NH 2

Linear Structure Formula: C15H21F2NO2 Molecular Formula: C15H21F2NO2 Molecular Weight: 285.334 Type of Substance: isocyclic InChI Key: LVRAMEVUHZDWJC-UHFFFAOYSA-N Note:

O O

Reaxys ID 3408459 View in Reaxys

147/176

34/43

2018-08-17 22:50:42

Chemical Name: 2-(4-benzyloxy-3-methoxy-phenyl)-1-methyl-propylamine; 2-(4-Benzyloxy-3-methoxy-phenyl)-1-methyl-propylamin; 2-Amino-3-(4-benzyloxy-3-methoxy-phenyl)-butan Linear Structure Formula: C18H23NO2 Molecular Formula: C18H23NO2 Molecular Weight: 285.386 Type of Substance: isocyclic InChI Key: COFIWKLSRMTHRC-UHFFFAOYSA-N Note:

NH 2

Reaxys ID 13731225 View in Reaxys

148/176 NH 2

Chemical Name: (+-)-4-(difluoromethoxy)-α-methyl-3-[(tetrahydro-3furanyl)oxy]benzeneethanamine; 4-(difluoromethoxy)-α-methyl-3[(tetrahydro-3-furanyl)oxy]benzeneethanamine Linear Structure Formula: C14H19F2NO3 Molecular Formula: C14H19F2NO3 Molecular Weight: 287.307 InChI Key: ZWDCWKWBOVUZAT-UHFFFAOYSA-N Note:

O O O

Reaxys ID 13490723 View in Reaxys

149/176 NH 2

Chemical Name: {1-[2-(3,4-Dichlorophenoxy)phenyl]-ethyl}-methylamine; {1-[2-(3,4-Dichlorophenoxy)phenyl}-ethyl}-methylamine Linear Structure Formula: C15H15Cl2NO Molecular Formula: C15H15Cl2NO Molecular Weight: 296.196 InChI Key: SEVURZCKHWRVRZ-UHFFFAOYSA-N Note:

Cl Cl

Reaxys ID 9138442 View in Reaxys

150/176 NH 2

CAS Registry Number: 205699-51-0 Chemical Name: (+-)-3-[(2,3-dihydro-1H-inden-2-yl)oxy]-4-methoxy-α-methylbenzeneethanamine; 3-[(2,3-dihydro-1H-inden-2yl)oxy]-4-methoxy-α-methylbenzeneethanamine Linear Structure Formula: C19H23NO2 Molecular Formula: C19H23NO2 Molecular Weight: 297.397 Type of Substance: isocyclic InChI Key: UPXZILRPCPRORO-UHFFFAOYSA-N Note:

O O

35/43

2018-08-17 22:50:42

Reaxys ID 9142011 View in Reaxys

151/176 NH 2

Linear Structure Formula: C15H20F3NO2 Molecular Formula: C15H20F3NO2 Molecular Weight: 303.325 Type of Substance: isocyclic InChI Key: FBCGRFSFDRTRKL-UHFFFAOYSA-N Note:

Reaxys ID 11081062 View in Reaxys

152/176 H 2N

Linear Structure Formula: C18H33NOSi Molecular Formula: C18H33NOSi Molecular Weight: 307.552 InChI Key: UYGQYZNDEFLORC-UHFFFAOYSA-N Note:

O Si

Reaxys ID 11949273 View in Reaxys

153/176 NH 2

Chemical Name: {1-[4,5-Dichloro-2-(1-phenyl-ethyl)-phenyl]-ethyl}-methyl-amine Linear Structure Formula: C17H19Cl2N Molecular Formula: C17H19Cl2N Molecular Weight: 308.251 InChI Key: ODCHNVDQECRTDQ-UHFFFAOYSA-N Note:

Reaxys ID 11949274 View in Reaxys

154/176 NH 2

Chemical Name: (1-{2-[1-(3,4-Dichloro-phenyl)-ethyl]-phenyl}-ethyl)-methyl-amine; (1-{2-[1-(3,4-dichloro-phenyl)ethyl]-phenyl}-ethyl)-methyl-amine Linear Structure Formula: C17H19Cl2N Molecular Formula: C17H19Cl2N Molecular Weight: 308.251 InChI Key: RVDHYKHJSUEEHN-UHFFFAOYSA-N Note: Cl

36/43

2018-08-17 22:50:42

Reaxys ID 13490998 View in Reaxys

155/176 NH 2

Chemical Name: {1-[2-(3,4-Dichlorophenoxy)-5-fluorophenyl]-ethyl}-methylamine Linear Structure Formula: C15H14Cl2FNO Molecular Formula: C15H14Cl2FNO Molecular Weight: 314.187 InChI Key: YLQNLOYVEZHPPH-UHFFFAOYSA-N Note:

Cl Cl

Reaxys ID 11949265 View in Reaxys

156/176 NH 2

Chemical Name: (1-{2-[1-(4-Bromo-phenyl)-ethyl]-phenyl}-ethyl)methyl-amine Linear Structure Formula: C17H20BrN Molecular Formula: C17H20BrN Molecular Weight: 318.257 InChI Key: SODUDOORURXXIC-UHFFFAOYSA-N Note:

Reaxys ID 11949266 View in Reaxys

157/176 NH 2

Chemical Name: (1-{2-[1-(3-Bromo-phenyl)-ethyl]-phenyl}-ethyl)methyl-amine Linear Structure Formula: C17H20BrN Molecular Formula: C17H20BrN Molecular Weight: 318.257 InChI Key: OOFWQRPTGHSHGF-UHFFFAOYSA-N Note:

Reaxys ID 25788250 View in Reaxys

158/176

CAS Registry Number: 123771-47-1 Linear Structure Formula: C11H16INO2 Molecular Formula: C11H16INO2 Molecular Weight: 321.158 InChI Key: CEAOELYQXYSCGV-UHFFFAOYSA-N Note:

NH 2

37/43

2018-08-17 22:50:42

Reaxys ID 9145406 View in Reaxys

159/176 NH 2

Linear Structure Formula: C21H27NO2 Molecular Formula: C21H27NO2 Molecular Weight: 325.451 Type of Substance: isocyclic InChI Key: GAKUIHCUIWIKJB-UHFFFAOYSA-N Note:

O O

Reaxys ID 9142677 View in Reaxys

160/176 NH 2

Linear Structure Formula: C21H29NO2 Molecular Formula: C21H29NO2 Molecular Weight: 327.467 Type of Substance: isocyclic InChI Key: PWLIGAUESQLTTI-UHFFFAOYSA-N Note:

O O

Reaxys ID 13491206 View in Reaxys

161/176 NH 2

Chemical Name: {1-[2-(4-Chlorophenoxy)-5-trifluoromethylphenyl]ethyl}-methylamine Linear Structure Formula: C16H15ClF3NO Molecular Formula: C16H15ClF3NO Molecular Weight: 329.749 InChI Key: VRRANSPDLCOSOG-UHFFFAOYSA-N Note:

Reaxys ID 8780227 View in Reaxys

162/176

38/43

2018-08-17 22:50:42

NH 2

CAS Registry Number: 329188-34-3 Chemical Name: 2-(4-(N,N-dibenzylamino)phenyl)propylamine hydrochloride; 2-[4-(N,N-dibenzylamino)phenyl]propylamine Linear Structure Formula: C23H26N2 Molecular Formula: C23H26N2 Molecular Weight: 330.473 Type of Substance: isocyclic InChI Key: HKERGJYMHLQUCF-UHFFFAOYSA-N Note:

Reaxys ID 12514787 View in Reaxys

163/176 NH 2

Chemical Name: {1-[4-Chloro-2-(4-chloro-2-fluorophenoxy)-5-fluorophenyl]ethyl}methylamine Linear Structure Formula: C15H13Cl2F2NO Molecular Formula: C15H13Cl2F2NO Molecular Weight: 332.177 InChI Key: FAYOPRBTGGSDPP-UHFFFAOYSA-N Note:

O F

Reaxys ID 14010967 View in Reaxys

164/176 NH 2

Chemical Name: {1-[2-(3,4-Dichlorophenoxy)-5-nitrophenyl]ethyl}methylamine Linear Structure Formula: C15H14Cl2N2O3 Molecular Formula: C15H14Cl2N2O3 Molecular Weight: 341.194 InChI Key: BZYQMSRQFXKCPK-UHFFFAOYSA-N Note:

O N O

Cl Cl

Reaxys ID 13491022 View in Reaxys

165/176 NH 2

Chemical Name: {1-[2-(3,4-Dichlorophenoxy)-5-methylsulfanylphenyl]-ethyl}-methylamine Linear Structure Formula: C16H17Cl2NOS Molecular Formula: C16H17Cl2NOS Molecular Weight: 342.289 InChI Key: PMMMYGSTESHNJP-UHFFFAOYSA-N Note:

Cl Cl

39/43

2018-08-17 22:50:42

Reaxys ID 7284262 View in Reaxys

166/176 Chemical Name: erythro-2-Amino-3-(3,4-dibenzyloxyphenyl)-butan Linear Structure Formula: C24H27NO2 Molecular Formula: C24H27NO2 Molecular Weight: 361.484 Type of Substance: isocyclic Type and Modification: racemate InChI Key: HHYRWGJAFQSHRF-MOPGFXCFSA-N Note:

H O

NH 2 H

Reaxys ID 7284263 View in Reaxys

167/176 Chemical Name: threo-2-Amino-3-(3,4-dibenzyloxyphenyl)-butan Linear Structure Formula: C24H27NO2 Molecular Formula: C24H27NO2 Molecular Weight: 361.484 Type of Substance: isocyclic Type and Modification: racemate InChI Key: HHYRWGJAFQSHRF-RTBURBONSA-N Note:

H O

NH 2 H

Reaxys ID 9150567 View in Reaxys

168/176 NH 2

Linear Structure Formula: C21H27F2NO2 Molecular Formula: C21H27F2NO2 Molecular Weight: 363.448 Type of Substance: isocyclic InChI Key: UIWHIRGNEXMZQI-UHFFFAOYSA-N Note:

O O

Reaxys ID 12608629 View in Reaxys

169/176

40/43

2018-08-17 22:50:42

NH 2

Chemical Name: (2-{4-[(5,5-Dioxido-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl)oxy]phenyl}propyl)amine Linear Structure Formula: C19H23N3O3S Molecular Formula: C19H23N3O3S Molecular Weight: 373.476 InChI Key: FAWSIDKKFRFQEM-UHFFFAOYSA-N Note:

HN S O

O O

Reaxys ID 12025110 View in Reaxys

170/176

H 2N

Chemical Name: (1-{2-[1-(4-bromo-3-trifluoromethyl-phenyl)-ethyl]-phenyl}-ethyl)-methyl amine Linear Structure Formula: C18H19BrF3N Molecular Formula: C18H19BrF3N Molecular Weight: 386.255 InChI Key: BUFUFFZUUDMNLX-UHFFFAOYSA-N Note:

F F

Reaxys ID 29373195 View in Reaxys

171/176 Chemical Name: 2-(4-{[4-(2-amino-1-methyl-ethyl)-phenyl]-methylamino}-phenoxy)pyrido[3,4-d]pyrimidin-4-ol Linear Structure Formula: C23H23N5O2 Molecular Formula: C23H23N5O2 Molecular Weight: 401.468 InChI Key: NZCOKNORNALEMH-UHFFFAOYSA-N Note:

N OH

NH 2

Reaxys ID 13915810 View in Reaxys

172/176 NH 2

Chemical Name: {1-[2-(3,4-Dichlorophenoxy)-5-(propane-2-sulfonyl)-phenyl]-ethyl}-methylamine; {1-[2-(3,4-Dichlorophenoxy)-5-(propane-2-sufonyl)-phenyl]-ethyl}-methylamine Linear Structure Formula: C18H21Cl2NO3S Molecular Formula: C18H21Cl2NO3S Molecular Weight: 402.342 InChI Key: KPIIJBIXHQLSMI-UHFFFAOYSA-N Note:

O S

Cl Cl

41/43

2018-08-17 22:50:42

Reaxys ID 13106815 View in Reaxys

173/176 Chemical Name: 4-[3-(2-{[3-(2-amino-1-methylethyl)benzoyl]amino}ethyl)phenoxy]-N-methylpyridine-2-carboxamide Linear Structure Formula: C25H28N4O3 Molecular Formula: C25H28N4O3 Molecular Weight: 432.522 InChI Key: LCXWFGPZSHGQKT-UHFFFAOYSA-N Note:

O NH 2 N H

Reaxys ID 8371828 View in Reaxys

174/176 Chemical Name: 5-(glutathion-S-yl)-α-methyldopamine Linear Structure Formula: C19H28N4O8S Molecular Formula: C19H28N4O8S Molecular Weight: 472.519 Type of Substance: isocyclic InChI Key: HWIDOBGKOQOJIZ-WEBCLNCGSA-N Note:

NH 2

HO S O

O O

N H NH 2

Reaxys ID 14814937 View in Reaxys

175/176

NH 2

CAS Registry Number: 256649-32-8 Chemical Name: cis-1,5-cyclooctylene bis{4-[4-(1-aminoprop-2yl)benzoyl]-1-piperazinecarboxylate} Linear Structure Formula: C38H54N6O6 Molecular Formula: C38H54N6O6 Molecular Weight: 690.883 InChI Key: JDGDVBVYXIVRDR-ASDJDHNPSA-N Note:

N O

N O O

H 2N

Reaxys ID 26037410 View in Reaxys

176/176

42/43

2018-08-17 22:50:42

CAS Registry Number: 178972-53-7 Linear Structure Formula: C38H54N6O6 Molecular Formula: C38H54N6O6 Molecular Weight: 690.883 InChI Key: JDGDVBVYXIVRDR-UHFFFAOYSA-N Note:

NH 2

43/43

2018-08-17 22:50:42