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

• ChemBase ID: 263010
• Molecular Formular: C14H15Cl2N
• Molecular Mass: 268.1816
• Monoisotopic Mass: 267.05815485
• SMILES: C(c1ccc(cc1)Cl)(Cc1ccccc1)N.Cl
• Canonical SMILES: Clc1ccc(cc1)C(Cc1ccccc1)N.Cl
• InChI: InChI=1S/C14H14ClN.ClH/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11;/h1-9,14H,10,16H2;1H
• InChIKey: RXDHBBHMKFZSDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13195943
• PubChem SID: 164318920
• PubChem CID: 45792218

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

• Melting Point: 276 - 278°C
• Hydrophobicity(logP): 3.684

Product Information

• Purity: 95%