1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine

C23H29N — CID 142271338

IUPAC1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine
SMILESC=C(NCC1(c2ccccc2)CCC(C)CC1)c1ccccc1C
InChIInChI=1S/C23H29N/c1-18-13-15-23(16-14-18,21-10-5-4-6-11-21)17-24-20(3)22-12-8-7-9-19(22)2/h4-12,18,24H,3,13-17H2,1-2H3
InChIKeyZRCSQAPREKDCFC-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.70
Rot. Bonds5

About 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine

1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine (PubChem CID 142271338) has the molecular formula C23H29N and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine
PubChem CID142271338
Molecular FormulaC23H29N
Molecular Weight319.49 g/mol
Exact Mass319.23
IUPAC Name1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine
SMILESC=C(NCC1(c2ccccc2)CCC(C)CC1)c1ccccc1C
InChIInChI=1S/C23H29N/c1-18-13-15-23(16-14-18,21-10-5-4-6-11-21)17-24-20(3)22-12-8-7-9-19(22)2/h4-12,18,24H,3,13-17H2,1-2H3
InChIKeyZRCSQAPREKDCFC-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene
CID 142271459
[4-[[1-(2-methylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl] N-(3-hydroxypropyl)carbamate
CID 89204009
N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine
CID 142271242
N-[[4-[1-amino-1-(2H-azirin-3-ylimino)but-3-en-2-yl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
CID 142271448
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 30896186
ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
CID 142271283
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-methyl-5-sulfamoylbenzoate
CID 55525907
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
3-methyl-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 24597403

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine?
The IUPAC name of 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine (CID 142271338) is 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine is C=C(NCC1(c2ccccc2)CCC(C)CC1)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine?
The InChIKey is ZRCSQAPREKDCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N/c1-18-13-15-23(16-14-18,21-10-5-4-6-11-21)17-24-20(3)22-12-8-7-9-19(22)2/h4-12,18,24H,3,13-17H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine?
1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine has a molecular weight of 319.49 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine is sourced from PubChem (CID 142271338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).