2,3-diphenylpropan-1-amine

• ChemBase ID: 125212
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: c1ccc(cc1)CC(CN)c1ccccc1
• Canonical SMILES: NCC(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H17N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2
• InChIKey: RHRYWWVGUVEZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diphenylpropan-1-amine
• IUPAC Traditional name: 2,3-diphenylpropylamine
• Synonyms: 2,3-Diphenylpropylamine; 2,3-diphenylpropan-1-amine

Database IDs

• CAS Number: 5415-80-5
• MDL Number: MFCD09884817
• PubChem SID: 162219562
• PubChem CID: 38619
• Chemspider ID: 35395
• Wikipedia Title: 2,3-Diphenylpropylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3214427
• LogD (pH = 7.4): 1.0308002
• Log P: 3.3310208
• Molar Refractivity: 68.454 cm^3
• Polarizability: 26.928844 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.25

Product Information

• Purity: 95%