2-(4-phenylphenyl)ethan-1-amine hydrochloride

• ChemBase ID: 239597
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: c1(c2ccccc2)ccc(cc1)CCN.Cl
• Canonical SMILES: NCCc1ccc(cc1)c1ccccc1.Cl
• InChI: InChI=1S/C14H15N.ClH/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
• InChIKey: ITWAKNWMCINLDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-phenylphenyl)ethanamine hydrochloride
• Synonyms: 2-(4-phenylphenyl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD01740502
• PubChem SID: 164295507
• PubChem CID: 54611699

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.02533902
• LogD (pH = 7.4): 0.7349328
• Log P: 3.034901
• Molar Refractivity: 64.4226 cm^3
• Polarizability: 26.626776 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.321

Product Information

• Purity: 95%