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

• ChemBase ID: 262046
• Molecular Formular: C14H15Cl2N
• Molecular Mass: 268.1816
• Monoisotopic Mass: 267.05815485
• SMILES: C(Cc1ccc(Cl)cc1)(c1ccccc1)N.Cl
• Canonical SMILES: Clc1ccc(cc1)CC(c1ccccc1)N.Cl
• InChI: InChI=1S/C14H14ClN.ClH/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12;/h1-9,14H,10,16H2;1H
• InChIKey: VWGCJYLRMVCORO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913060
• PubChem SID: 164317956
• PubChem CID: 3052629

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.77256197
• LogD (pH = 7.4): 1.5621933
• Log P: 3.7759602
• Molar Refractivity: 68.374 cm^3
• Polarizability: 26.935738 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 251 - 253°C
• Hydrophobicity(logP): 3.684

Product Information

• Purity: 95%