2-ethoxy-5-methoxyaniline

• ChemBase ID: 270702
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(cc(ccc1OCC)OC)N
• Canonical SMILES: CCOc1ccc(cc1N)OC
• InChI: InChI=1S/C9H13NO2/c1-3-12-9-5-4-7(11-2)6-8(9)10/h4-6H,3,10H2,1-2H3
• InChIKey: IRRIDSMXMHAYOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-methoxyaniline
• IUPAC Traditional name: 2-ethoxy-5-methoxyaniline
• Synonyms: 2-ethoxy-5-methoxyaniline

Database IDs

• MDL Number: MFCD09736306
• PubChem SID: 164326612
• PubChem CID: 16789540

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1755561
• LogD (pH = 7.4): 1.185655
• Log P: 1.1857853
• Molar Refractivity: 48.4334 cm^3
• Polarizability: 18.344332 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 1.743

Product Information

• Purity: 95%