1,3-diphenylpropan-1-amine hydrochloride

• ChemBase ID: 260073
• Molecular Formular: C15H18ClN
• Molecular Mass: 247.76312
• Monoisotopic Mass: 247.11277726
• SMILES: C(CCc1ccccc1)(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccccc1)CCc1ccccc1.Cl
• InChI: InChI=1S/C15H17N.ClH/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;/h1-10,15H,11-12,16H2;1H
• InChIKey: MTYYXUIJVCIFHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diphenylpropan-1-amine hydrochloride
• IUPAC Traditional name: 1,3-diphenylpropan-1-amine hydrochloride
• Synonyms: 1,3-diphenylpropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD12197109
• PubChem SID: 164315983
• PubChem CID: 458435

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6085956
• LogD (pH = 7.4): 1.3415511
• Log P: 3.6164844
• Molar Refractivity: 68.1702 cm^3
• Polarizability: 27.009724 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): 3.35

Product Information

• Purity: 95%