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

• ChemBase ID: 270953
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(c(C(N)C)cccc1)c1ccccc1
• Canonical SMILES: CC(c1ccccc1c1ccccc1)N
• InChI: InChI=1S/C14H15N/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-11H,15H2,1H3
• InChIKey: WPRJUUUGBBRPCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12779963
• PubChem SID: 164326863
• PubChem CID: 50987519

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.14807123
• LogD (pH = 7.4): 0.7753085
• Log P: 3.1628146
• Molar Refractivity: 64.0864 cm^3
• Polarizability: 26.71064 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 2.991

Product Information

• Purity: 95%