N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine

C15H22ClN — CID 106816234

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
SMILESCc1ccc(CNCC2CCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11H2,1H3
InChIKeyVIRMSYOWJLXVKA-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.32
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine

N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine (PubChem CID 106816234) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
PubChem CID106816234
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
SMILESCc1ccc(CNCC2CCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11H2,1H3
InChIKeyVIRMSYOWJLXVKA-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine
CID 142817012
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(4-chloro-3-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 63423058
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine (CID 106816234) is N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine is Cc1ccc(CNCC2CCCCC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine?
The InChIKey is VIRMSYOWJLXVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12-7-8-14(9-15(12)16)11-17-10-13-5-3-2-4-6-13/h7-9,13,17H,2-6,10-11H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine?
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 106816234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).