4-(2-phenylphenoxy)aniline

• ChemBase ID: 20126
• Molecular Formular: C18H15NO
• Molecular Mass: 261.3178
• Monoisotopic Mass: 261.11536411
• SMILES: c1(c(c2ccccc2)cccc1)Oc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C18H15NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,19H2
• InChIKey: ZWQOXRDNGHWDBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylphenoxy)aniline
• IUPAC Traditional name: 4-(2-phenylphenoxy)aniline
• Synonyms: 4-([1,1'-Biphenyl]-2-yloxy)aniline

Database IDs

• MDL Number: MFCD02663334
• PubChem SID: 160983433
• PubChem CID: 902705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.258823
• LogD (pH = 7.4): 4.2914004
• Log P: 4.2918324
• Molar Refractivity: 82.1354 cm^3
• Polarizability: 32.893715 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false