(2-phenylpropyl)(3-phenylpropyl)amine hydrochloride

• ChemBase ID: 182457
• Molecular Formular: C18H24ClN
• Molecular Mass: 289.84286
• Monoisotopic Mass: 289.15972745
• SMILES: c1(C(CNCCCc2ccccc2)C)ccccc1.Cl
• Canonical SMILES: CC(c1ccccc1)CNCCCc1ccccc1.Cl
• InChI: InChI=1S/C18H23N.ClH/c1-16(18-12-6-3-7-13-18)15-19-14-8-11-17-9-4-2-5-10-17;/h2-7,9-10,12-13,16,19H,8,11,14-15H2,1H3;1H
• InChIKey: AYPJLMAEMLXWRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylpropyl)(3-phenylpropyl)amine hydrochloride
• IUPAC Traditional name: (2-phenylpropyl)(3-phenylpropyl)amine hydrochloride

Database IDs

• PubChem SID: 164238367
• PubChem CID: 13011907

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4081869
• LogD (pH = 7.4): 1.7703325
• Log P: 4.6429315
• Molar Refractivity: 82.5012 cm^3
• Polarizability: 32.47029 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds