1,1-diphenylethan-1-amine

• ChemBase ID: 270527
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: C(c1ccccc1)(c1ccccc1)(N)C
• Canonical SMILES: CC(c1ccccc1)(c1ccccc1)N
• InChI: InChI=1S/C14H15N/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,15H2,1H3
• InChIKey: XADXWWLTECVAAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03002278
• PubChem SID: 164326437
• PubChem CID: 12761172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.061979398
• LogD (pH = 7.4): 1.1597532
• Log P: 3.0251114
• Molar Refractivity: 63.6534 cm^3
• Polarizability: 25.239147 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.841

Product Information

• Purity: 95%