1-(4-chlorophenyl)-2-phenylethan-1-amine

• ChemBase ID: 262135
• Molecular Formular: C14H14ClN
• Molecular Mass: 231.72066
• Monoisotopic Mass: 231.08147713
• SMILES: C(c1ccc(cc1)Cl)(Cc1ccccc1)N
• Canonical SMILES: Clc1ccc(cc1)C(Cc1ccccc1)N
• InChI: InChI=1S/C14H14ClN/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,14H,10,16H2
• InChIKey: LOBUEOHOZLKGHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-2-phenylethan-1-amine
• IUPAC Traditional name: 1-(4-chlorophenyl)-2-phenylethanamine
• Synonyms: 1-(4-chlorophenyl)-2-phenylethan-1-amine

Database IDs

• MDL Number: MFCD00130148
• PubChem SID: 164318045
• PubChem CID: 12790990

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7760825
• LogD (pH = 7.4): 1.605086
• Log P: 3.7759602
• Molar Refractivity: 68.374 cm^3
• Polarizability: 26.938044 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.684

Product Information

• Purity: 95%