1-(3-methylcyclohexyl)-4-phenylbutan-1-amine

C17H27N — CID 55185670

IUPAC1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
SMILESCC1CCCC(C(N)CCCc2ccccc2)C1
InChIInChI=1S/C17H27N/c1-14-7-5-11-16(13-14)17(18)12-6-10-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13,18H2,1H3
InChIKeyYWDDSUOMDWEJQC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.16
Rot. Bonds5

About 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine

1-(3-methylcyclohexyl)-4-phenylbutan-1-amine (PubChem CID 55185670) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
PubChem CID55185670
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
SMILESCC1CCCC(C(N)CCCc2ccccc2)C1
InChIInChI=1S/C17H27N/c1-14-7-5-11-16(13-14)17(18)12-6-10-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13,18H2,1H3
InChIKeyYWDDSUOMDWEJQC-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine 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

(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
1-(3-methylcyclohexyl)hexan-1-amine
CID 55210427
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine
CID 115849389
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
1-(3-methylcyclohexyl)pent-4-yn-1-amine
CID 63655886
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine
CID 66418421
(1S)-1-[(2S,3R)-3-[(1S)-1-amino-4-phenylbutyl]oxiran-2-yl]-4-phenylbutan-1-amine
CID 22867494
1-cyclopropyl-4-phenylmethoxybutan-1-amine
CID 130537024
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine (CID 55185670) is 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine is CC1CCCC(C(N)CCCc2ccccc2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine?
The InChIKey is YWDDSUOMDWEJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-7-5-11-16(13-14)17(18)12-6-10-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13,18H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine?
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 55185670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).