[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine

C17H27N — CID 81010415

IUPAC[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCc1ccc(CC2CC(C)CCC2CN)cc1C
InChIInChI=1S/C17H27N/c1-12-4-7-16(11-18)17(8-12)10-15-6-5-13(2)14(3)9-15/h5-6,9,12,16-17H,4,7-8,10-11,18H2,1-3H3
InChIKeyABLFBSMSTYOXOE-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.86
Rot. Bonds3

About [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine

[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81010415) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81010415
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCc1ccc(CC2CC(C)CCC2CN)cc1C
InChIInChI=1S/C17H27N/c1-12-4-7-16(11-18)17(8-12)10-15-6-5-13(2)14(3)9-15/h5-6,9,12,16-17H,4,7-8,10-11,18H2,1-3H3
InChIKeyABLFBSMSTYOXOE-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine 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

[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
[2-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexyl]methanamine
CID 81011185
1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033714
[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010305
2-[(3,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81319007
4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene
CID 63471978
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine (CID 81010415) is [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine is Cc1ccc(CC2CC(C)CCC2CN)cc1C.
What is the InChIKey of [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is ABLFBSMSTYOXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-4-7-16(11-18)17(8-12)10-15-6-5-13(2)14(3)9-15/h5-6,9,12,16-17H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81010415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).