1,3-diphenylpropan-2-amine

• ChemBase ID: 117196
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: C(Cc1ccccc1)(Cc1ccccc1)N
• Canonical SMILES: NC(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H17N/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
• InChIKey: BWYYVSNVUCFQQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diphenylpropan-2-amine
• IUPAC Traditional name: α-benyzl benzeneethaneamine
• Synonyms: (1-benzyl-2-phenylethyl)amine hydrocloride; 1,3-diphenylpropan-2-amine

Database IDs

• MDL Number: MFCD01708465; MFCD00449548
• PubChem SID: 162102067
• PubChem CID: 77960

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4431889
• LogD (pH = 7.4): 1.0209434
• Log P: 3.4605768
• Molar Refractivity: 68.3242 cm^3
• Polarizability: 26.929451 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.247
• Hydrophobicity(logP): 3.16

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl