1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine

C15H22ClN — CID 107559775

IUPAC1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H22ClN/c1-3-12-5-4-8-15(17,10-12)13-7-6-11(2)14(16)9-13/h6-7,9,12H,3-5,8,10,17H2,1-2H3
InChIKeyHZVMLURYMZRPMJ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.40
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine

1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine (PubChem CID 107559775) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine
PubChem CID107559775
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H22ClN/c1-3-12-5-4-8-15(17,10-12)13-7-6-11(2)14(16)9-13/h6-7,9,12H,3-5,8,10,17H2,1-2H3
InChIKeyHZVMLURYMZRPMJ-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-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-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine (CID 107559775) is 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine is CCC1CCCC(N)(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine?
The InChIKey is HZVMLURYMZRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-12-5-4-8-15(17,10-12)13-7-6-11(2)14(16)9-13/h6-7,9,12H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine?
1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 107559775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).