4-methoxy-3-phenylaniline

• ChemBase ID: 812668
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: Nc1ccc(c(c1)c1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1c1ccccc1)N
• InChI: InChI=1S/C13H13NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h2-9H,14H2,1H3
• InChIKey: OFBRKDXLBOTZNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-phenylaniline
• IUPAC Traditional name: 4-methoxy-3-phenylaniline
• Synonyms: 3-PHENYL-4-ANISIDINE

Database IDs

• CAS Number: 56970-26-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.503361
• LogD (pH = 7.4): 2.6319578
• Log P: 2.633874
• Molar Refractivity: 62.3578 cm^3
• Polarizability: 25.030731 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%