(1,1-diphenylpropan-2-yl)(methyl)amine

• ChemBase ID: 126130
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: c1ccccc1C(C(C)NC)c1ccccc1
• Canonical SMILES: CNC(C(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C16H19N/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3
• InChIKey: YZFPOMOQFPMBPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1-diphenylpropan-2-yl)(methyl)amine
• IUPAC Traditional name: β-phenylmethamphetamine
• Synonyms: Beta-Phenylmethamphetamine

Database IDs

• CAS Number: 768295-94-9
• PubChem SID: 162220471
• PubChem CID: 201042
• Chemspider ID: 174060
• Wikipedia Title: Beta-Phenylmethamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.507078
• LogD (pH = 7.4): 1.0380077
• Log P: 3.7356076
• Molar Refractivity: 73.0464 cm^3
• Polarizability: 28.854889 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true