2-(4-chlorophenyl)-1-cyclohexylethanamine

C14H20ClN — CID 50989610

IUPAC2-(4-chlorophenyl)-1-cyclohexylethanamine
SMILESNC(Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C14H20ClN/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10,16H2
InChIKeyHPQHKFRYWGPIRF-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.79
Rot. Bonds3

About 2-(4-chlorophenyl)-1-cyclohexylethanamine

2-(4-chlorophenyl)-1-cyclohexylethanamine (PubChem CID 50989610) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-cyclohexylethanamine
PubChem CID50989610
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-(4-chlorophenyl)-1-cyclohexylethanamine
SMILESNC(Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C14H20ClN/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10,16H2
InChIKeyHPQHKFRYWGPIRF-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-1-cyclohexylethanamine 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 2-(4-chlorophenyl)-1-cyclohexylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-cyclohexylethanamine (CID 50989610) is 2-(4-chlorophenyl)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-cyclohexylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-cyclohexylethanamine is NC(Cc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-cyclohexylethanamine?
The InChIKey is HPQHKFRYWGPIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10,16H2.
What are the key properties of 2-(4-chlorophenyl)-1-cyclohexylethanamine?
2-(4-chlorophenyl)-1-cyclohexylethanamine has a molecular weight of 237.77 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-cyclohexylethanamine is sourced from PubChem (CID 50989610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).