1-(4-phenylphenyl)propan-2-amine hydrochloride

• ChemBase ID: 260097
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: c1(c2ccccc2)ccc(CC(N)C)cc1.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)c1ccccc1)N.Cl
• InChI: InChI=1S/C15H17N.ClH/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;/h2-10,12H,11,16H2,1H3;1H
• InChIKey: KCFXOYGMMYOKSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-(4-phenylphenyl)propan-2-amine hydrochloride
• Synonyms: 1-(4-phenylphenyl)propan-2-amine hydrochloride

Database IDs

• CAS Number: 23734-64-7
• MDL Number: MFCD01740505
• PubChem SID: 164316007
• PubChem CID: 45791496

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.43260956
• LogD (pH = 7.4): 0.9798562
• Log P: 3.4514759
• Molar Refractivity: 68.8414 cm^3
• Polarizability: 28.47048 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238 - 240°C
• Hydrophobicity(logP): 3.63

Product Information

• Purity: 95%