3-ethoxy-4-methoxyaniline

• ChemBase ID: 259666
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(cc(N)ccc1OC)OCC
• Canonical SMILES: CCOc1cc(N)ccc1OC
• InChI: InChI=1S/C9H13NO2/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6H,3,10H2,1-2H3
• InChIKey: BEFRVRWYSAQETM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-4-methoxyaniline
• IUPAC Traditional name: 3-ethoxy-4-methoxyaniline
• Synonyms: 3-ethoxy-4-methoxyaniline

Database IDs

• MDL Number: MFCD09738742
• PubChem SID: 164315576
• PubChem CID: 16791947

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1239035
• LogD (pH = 7.4): 1.1849481
• Log P: 1.1857853
• Molar Refractivity: 48.4334 cm^3
• Polarizability: 18.344587 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 1.12

Product Information

• Purity: 95%