2,2-diphenylethan-1-amine hydrochloride

• ChemBase ID: 257360
• Molecular Formular: C14H16ClN
• Molecular Mass: 233.73654
• Monoisotopic Mass: 233.0971272
• SMILES: C(c1ccccc1)(c1ccccc1)CN.Cl
• Canonical SMILES: NCC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C14H15N.ClH/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11,15H2;1H
• InChIKey: NMKWKTZCPBLCJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02089460
• PubChem SID: 164313270
• PubChem CID: 12293098

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.11871757
• LogD (pH = 7.4): 0.6495099
• Log P: 2.8864522
• Molar Refractivity: 63.853 cm^3
• Polarizability: 25.161785 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.871

Product Information

• Purity: 95%