N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine

C17H27N — CID 55185680

IUPACN-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1CCC(C)CC1
InChIInChI=1S/C17H27N/c1-4-18-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-6,9-10,14,16-18H,4,7-8,11-12H2,1-3H3
InChIKeyCAHACXVOHLUDSV-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.47
Rot. Bonds4

About N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine

N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 55185680) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID55185680
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1CCC(C)CC1
InChIInChI=1S/C17H27N/c1-4-18-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-6,9-10,14,16-18H,4,7-8,11-12H2,1-3H3
InChIKeyCAHACXVOHLUDSV-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine 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-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
N-[(4-methylcyclohexyl)-quinoxalin-6-ylmethyl]ethanamine
CID 64775461
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-(4-methylphenyl)methanamine
CID 114099572
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103910587
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine (CID 55185680) is N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)C1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is CAHACXVOHLUDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-18-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-6,9-10,14,16-18H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine?
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 55185680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).