(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine

C16H25N — CID 63415986

IUPAC(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1cc(C)cc(C(N)C2CCC(C)CC2)c1
InChIInChI=1S/C16H25N/c1-11-4-6-14(7-5-11)16(17)15-9-12(2)8-13(3)10-15/h8-11,14,16H,4-7,17H2,1-3H3
InChIKeyQHMWCGKMFVNQGT-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.13
Rot. Bonds2

About (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine

(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine (PubChem CID 63415986) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
PubChem CID63415986
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
SMILESCc1cc(C)cc(C(N)C2CCC(C)CC2)c1
InChIInChI=1S/C16H25N/c1-11-4-6-14(7-5-11)16(17)15-9-12(2)8-13(3)10-15/h8-11,14,16H,4-7,17H2,1-3H3
InChIKeyQHMWCGKMFVNQGT-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3,5-dimethylphenyl)-(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

(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
CID 65395177
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
CID 79704869
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 131036736
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
(R)-(4-methylcyclohexyl)-pyridin-4-ylmethanamine
CID 96735910
(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanamine
CID 64775459

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine (CID 63415986) is (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine is Cc1cc(C)cc(C(N)C2CCC(C)CC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
The InChIKey is QHMWCGKMFVNQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-4-6-14(7-5-11)16(17)15-9-12(2)8-13(3)10-15/h8-11,14,16H,4-7,17H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine?
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 63415986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).