1-(3-bromophenyl)-2-phenylpropan-2-amine hydrochloride

• ChemBase ID: 279430
• Molecular Formular: C15H17BrClN
• Molecular Mass: 326.65918
• Monoisotopic Mass: 325.02328923
• SMILES: C(Cc1cc(Br)ccc1)(c1ccccc1)(N)C.Cl
• Canonical SMILES: Brc1cccc(c1)CC(c1ccccc1)(N)C.Cl
• InChI: InChI=1S/C15H16BrN.ClH/c1-15(17,13-7-3-2-4-8-13)11-12-6-5-9-14(16)10-12;/h2-10H,11,17H2,1H3;1H
• InChIKey: TZCDLXPOWMVXDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromophenyl)-2-phenylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(3-bromophenyl)-2-phenylpropan-2-amine hydrochloride
• Synonyms: 1-(3-bromophenyl)-2-phenylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD20441542
• PubChem SID: 164335340
• PubChem CID: 54595285

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2058699
• LogD (pH = 7.4): 1.8218223
• Log P: 4.221245
• Molar Refractivity: 75.8302 cm^3
• Polarizability: 29.544317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.233

Product Information

• Purity: 95%