2-(4-phenylphenyl)aniline

• ChemBase ID: 271851
• Molecular Formular: C18H15N
• Molecular Mass: 245.3184
• Monoisotopic Mass: 245.12044949
• SMILES: c1(c2ccc(cc2)c2ccccc2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H15N/c19-18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,19H2
• InChIKey: LZCYDNMVXHWZSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)aniline
• IUPAC Traditional name: 2-(4-phenylphenyl)aniline
• Synonyms: 2-(4-phenylphenyl)aniline

Database IDs

• MDL Number: MFCD12859679
• PubChem SID: 164327761
• PubChem CID: 12595489

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.4237957
• LogD (pH = 7.4): 4.4385786
• Log P: 4.438771
• Molar Refractivity: 81.0308 cm^3
• Polarizability: 33.73691 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 4.691

Product Information

• Purity: 95%