2-(3-phenylphenyl)ethan-1-amine

• ChemBase ID: 238530
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(cc(ccc1)CCN)c1ccccc1
• Canonical SMILES: NCCc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C14H15N/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-8,11H,9-10,15H2
• InChIKey: IZSWCUFTYSKCIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(3-phenylphenyl)ethanamine
• Synonyms: 2-(3-phenylphenyl)ethan-1-amine

Database IDs

• MDL Number: MFCD08448750
• PubChem SID: 164294440
• PubChem CID: 22379529

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.025688825
• LogD (pH = 7.4): 0.7402807
• Log P: 3.034901
• Molar Refractivity: 64.4226 cm^3
• Polarizability: 26.627638 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%