1-(3-phenylphenyl)ethan-1-amine

• ChemBase ID: 281699
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1c(c2ccccc2)cccc1C(N)C
• Canonical SMILES: CC(c1cccc(c1)c1ccccc1)N
• InChI: InChI=1S/C14H15N/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-11H,15H2,1H3
• InChIKey: CHKUZHZWJGZNBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-phenylphenyl)ethan-1-amine
• IUPAC Traditional name: 1-(3-phenylphenyl)ethanamine
• Synonyms: 1-(3-phenylphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD12824227
• PubChem SID: 180667230
• PubChem CID: 14023213

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15944782
• LogD (pH = 7.4): 0.9494499
• Log P: 3.1628146
• Molar Refractivity: 64.0864 cm^3
• Polarizability: 26.709698 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.291

Product Information

• Purity: 95%