2-methoxy-5-phenoxyaniline

• ChemBase ID: 52181
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: Nc1c(ccc(c1)Oc1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1N)Oc1ccccc1
• InChI: InChI=1S/C13H13NO2/c1-15-13-8-7-11(9-12(13)14)16-10-5-3-2-4-6-10/h2-9H,14H2,1H3
• InChIKey: SCDKUQBOSDILAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-phenoxyaniline
• IUPAC Traditional name: 2-methoxy-5-phenoxyaniline
• Synonyms: 5-Phenoxy-o-anisidine

Database IDs

• CAS Number: 116289-67-9
• MDL Number: MFCD00270120
• PubChem SID: 162056944
• PubChem CID: 2760337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4804947
• LogD (pH = 7.4): 2.486854
• Log P: 2.4869359
• Molar Refractivity: 63.4624 cm^3
• Polarizability: 24.317854 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-70°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false