(3-chlorophenyl)(cyclohexyl)methanamine

• ChemBase ID: 238518
• Molecular Formular: C13H18ClN
• Molecular Mass: 223.74172
• Monoisotopic Mass: 223.11277726
• SMILES: c1(C(C2CCCCC2)N)cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)C(C1CCCCC1)N
• InChI: InChI=1S/C13H18ClN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6,15H2
• InChIKey: SYGRGHQMTLXINJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)(cyclohexyl)methanamine
• IUPAC Traditional name: (3-chlorophenyl)(cyclohexyl)methanamine
• Synonyms: (3-chlorophenyl)(cyclohexyl)methanamine

Database IDs

• MDL Number: MFCD12153888
• PubChem SID: 164294428
• PubChem CID: 60820171

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8731554
• LogD (pH = 7.4): 1.6561984
• Log P: 3.8771093
• Molar Refractivity: 64.7514 cm^3
• Polarizability: 25.8837 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.237

Product Information

• Purity: 95%