1,1-diphenylpropan-2-amine hydrochloride

• ChemBase ID: 256640
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: C(c1ccccc1)(c1ccccc1)C(N)C.Cl
• Canonical SMILES: CC(C(c1ccccc1)c1ccccc1)N.Cl
• InChI: InChI=1S/C15H17N.ClH/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-12,15H,16H2,1H3;1H
• InChIKey: AKFNBTNILUNXAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diphenylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1,1-diphenylpropan-2-amine hydrochloride
• Synonyms: 1,1-diphenylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD01708039
• PubChem SID: 164312550
• PubChem CID: 3029821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2864836
• LogD (pH = 7.4): 0.8806947
• Log P: 3.3030274
• Molar Refractivity: 68.2718 cm^3
• Polarizability: 27.008162 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 287 - 289°C
• Hydrophobicity(logP): 3.18

Product Information

• Purity: 95%