Query Query
1. Query HN
Results
Date
2 substances in Reaxys
2018-03-16 05h:17m:19s (EST)
Search as: As drawn
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Reaxys ID 2101830 View in Reaxys
1/2 CAS Registry Number: 2201-48-1 Chemical Name: Isopropyl-<1-phenyl-cyclohexyl>-amin; 1-Isopropylamino-1-phenyl-cyclohexan; N-Isopropyl-1-phenyl-cyclohexylamin; N-Isopropyl-1-phenylcyclohexylamin Linear Structure Formula: C15H23N Molecular Formula: C15H23N Molecular Weight: 217.354 Type of Substance: isocyclic InChI Key: RBKZQUFNGAMIIJ-UHFFFAOYSA-N Note:
HN
Substance Label (6) Label References 1k
Brine; Williams; Boldt; Carroll; Journal of Heterocyclic Chemistry; vol. 16; nb. 7; (1979); p. 1425 - 1429, View in Reaxys
5
Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys
VII
Cookson et al.; Journal of the Chemical Society [Section] D: Chemical Communications; (1969); p. 753, View in Reaxys
4
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 477, View in Reaxys
6
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
15
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
Druglikeness (1) 1 of 1
LogP
3.998
H Bond Donors
1
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
12.03
Lipinski Number
4
Veber Number
2
Derivative (7) Comment (Derivative)
References
HCl: F: 251-252grad; IR sp.; UV
Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys
Hydrochlorid: F: 241-243grad (Tab.3); 13CNMR (Tab.1)
Brine; Williams; Boldt; Carroll; Journal of Heterocyclic Chemistry; vol. 16; nb. 7; (1979); p. 1425 - 1429, View in Reaxys
Hydrochlorid (ver- Patent; Sokolovsky; Mordechai; DE2339342; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys mutlich): F: 233grad (S.7) Hydrochlorid C15H23N*HCl. mp: 234-235grad<unkorr.>
MADDOX; GODEFROI; PARCELL; Journal of medicinal chemistry; vol. 8; (1965); p. 230 - 235, View in Reaxys
Hydrochlorid: F: 233-234grad
Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys
Hydrochlorid: F: 234-235grad
Patent; Godefroi, Parcell (Parke, Davis Co.); US3145229; (1960); Chem.Abstr.; vol. 61; nb. 9434a; (1964), View in Reaxys
Hydrochlorid. mp: Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys 234-235grad<aus
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Propan-2-ol +Et2O> Boiling Point (4) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
107 - 108
0.6
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys
99 - 101
0.9
MADDOX; GODEFROI; PARCELL; Journal of medicinal chemistry; vol. 8; (1965); p. 230 - 235, View in Reaxys; Patent; Godefroi, Parcell (Parke, Davis Co.); US3145229; (1960); Chem.Abstr.; vol. 61; nb. 9434a; (1964), View in Reaxys; Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
93.4
0.4
Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys
99 - 100
0.9
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
Further Information (2) Description (Fur- References ther Information) Further information
Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys
Further information
Patent; Sokolovsky; Mordechai; DE2339342; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys
IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
Spectrum
Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys Mass Spectrometry (1) References Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys
Reaxys ID 24715523 View in Reaxys
HCl
2/2 Linear Structure Formula: C15H23N*ClH Molecular Formula: C15H23N*ClH Molecular Weight: 253.815 InChI Key: CPEDMQJIDVYEGE-UHFFFAOYSA-N Note:
NH
Druglikeness (1) 1 of 1
LogP
4.51
H Bond Donors
1
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
12.03
Lipinski Number
4
Veber Number
2
Medchem (1) 1 of 1
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Dose of the compound required for anticonvulsant activity to abolish the extensor component of the convulsion in mouse upon ip adminstration; Protects 50 of animals
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Biological Species/NCBI Mus musculus ID Substance RN
24715523View in Reaxys
Substance Route of Adm.
intraperitoneal administration
Measurement Parameter
Activity
Unit
mg/kg
Measurement Object
control
Qualitative value
=
Quantitative value
12.5
MADDOX; GODEFROI; PARCELL; Journal of medicinal chemistry; vol. 8; (1965); p. 230 - 235, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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