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

• ChemBase ID: 265319
• Molecular Formular: C14H15Cl2N
• Molecular Mass: 268.1816
• Monoisotopic Mass: 267.05815485
• SMILES: C(c1c(Cl)cccc1)C(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)Cc1ccccc1Cl.Cl
• InChI: InChI=1S/C14H14ClN.ClH/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11;/h1-9,14H,10,16H2;1H
• InChIKey: PCWQCHODHSDQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705729
• PubChem SID: 164321229
• PubChem CID: 47002375

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7774759
• LogD (pH = 7.4): 1.6210314
• Log P: 3.7759602
• Molar Refractivity: 68.374 cm^3
• Polarizability: 26.939236 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): 3.684

Product Information

• Purity: 95%