4-(4-phenylphenoxy)aniline

• ChemBase ID: 20154
• Molecular Formular: C18H15NO
• Molecular Mass: 261.3178
• Monoisotopic Mass: 261.11536411
• SMILES: c1(c2ccccc2)ccc(Oc2ccc(N)cc2)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H15NO/c19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H,19H2
• InChIKey: JSKKUFIMCFTTRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02663336
• PubChem SID: 160983461
• PubChem CID: 247124

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.259404
• LogD (pH = 7.4): 4.2914085
• Log P: 4.2918324
• Molar Refractivity: 82.1354 cm^3
• Polarizability: 32.88771 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