1,3-bis(4-chlorophenyl)propan-2-amine hydrochloride

• ChemBase ID: 286558
• Molecular Formular: C15H16Cl3N
• Molecular Mass: 316.65324
• Monoisotopic Mass: 315.03483256
• SMILES: C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)N.Cl
• Canonical SMILES: NC(Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C15H15Cl2N.ClH/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12;/h1-8,15H,9-10,18H2;1H
• InChIKey: IVQYYLHITBWPEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(4-chlorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 1,3-bis(4-chlorophenyl)propan-2-amine hydrochloride
• Synonyms: 1,3-bis(4-chlorophenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22056497
• PubChem SID: 180672089
• PubChem CID: 72154151

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6521007
• LogD (pH = 7.4): 2.2458944
• Log P: 4.6686664
• Molar Refractivity: 77.9338 cm^3
• Polarizability: 30.534199 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): 4.586

Product Information

• Purity: 95%