2,2-diphenylpropan-1-amine

• ChemBase ID: 125196
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: CC(CN)(c1ccccc1)c1ccccc1
• Canonical SMILES: NCC(c1ccccc1)(c1ccccc1)C
• InChI: InChI=1S/C15H17N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12,16H2,1H3
• InChIKey: CDUYAMDJQXHINM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylpropan-1-amine
• IUPAC Traditional name: 2,2-diphenylpropylamine
• Synonyms: 2,2-diphenylpropan-1-amine; 2,2-Diphenylpropylamine

Database IDs

• MDL Number: MFCD06212586
• PubChem SID: 162219546
• PubChem CID: 533958
• Chemspider ID: 465217
• Wikipedia Title: 2,2-Diphenylpropylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.28779417
• LogD (pH = 7.4): 1.3075129
• Log P: 3.2644532
• Molar Refractivity: 78.7455 cm^3
• Polarizability: 27.006836 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.27

Product Information

• Purity: 95%