2-[3-(benzyloxy)phenyl]aniline

• ChemBase ID: 91553
• Molecular Formular: C19H17NO
• Molecular Mass: 275.34438
• Monoisotopic Mass: 275.13101417
• SMILES: Nc1ccccc1c1cc(ccc1)OCc1ccccc1
• Canonical SMILES: Nc1ccccc1c1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C19H17NO/c20-19-12-5-4-11-18(19)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h1-13H,14,20H2
• InChIKey: ICLWIOSPYJMJLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(benzyloxy)phenyl]aniline
• IUPAC Traditional name: 2-[3-(benzyloxy)phenyl]aniline
• Synonyms: 3'-Benzyloxy[1,1-biphenyl]-2-amine

Database IDs

• MDL Number: MFCD04039046
• PubChem SID: 162078252
• PubChem CID: 4067390

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.349443
• LogD (pH = 7.4): 4.358234
• Log P: 4.358347
• Molar Refractivity: 86.9704 cm^3
• Polarizability: 34.670547 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant