1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine

C18H29N — CID 105151295

IUPAC1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine
SMILESCCC1CCCCC1C(N)CCc1cccc(C)c1
InChIInChI=1S/C18H29N/c1-3-16-9-4-5-10-17(16)18(19)12-11-15-8-6-7-14(2)13-15/h6-8,13,16-18H,3-5,9-12,19H2,1-2H3
InChIKeyJREJTXNOAGUOAK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds5

About 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine

1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 105151295) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID105151295
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine
SMILESCCC1CCCCC1C(N)CCc1cccc(C)c1
InChIInChI=1S/C18H29N/c1-3-16-9-4-5-10-17(16)18(19)12-11-15-8-6-7-14(2)13-15/h6-8,13,16-18H,3-5,9-12,19H2,1-2H3
InChIKeyJREJTXNOAGUOAK-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine (CID 105151295) is 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine is CCC1CCCCC1C(N)CCc1cccc(C)c1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is JREJTXNOAGUOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-16-9-4-5-10-17(16)18(19)12-11-15-8-6-7-14(2)13-15/h6-8,13,16-18H,3-5,9-12,19H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine?
1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105151295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).