4-ethoxy-2-methylaniline

• ChemBase ID: 20500
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(ccc(c1)OCC)N)C
• Canonical SMILES: CCOc1ccc(c(c1)C)N
• InChI: InChI=1S/C9H13NO/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6H,3,10H2,1-2H3
• InChIKey: GQMOFUZZCSQSNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-2-methylaniline
• IUPAC Traditional name: 4-ethoxy-2-methylaniline
• Synonyms: 4-Ethoxy-2-methylaniline

Database IDs

• MDL Number: MFCD08687711
• PubChem SID: 160983807
• PubChem CID: 16784718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7365242
• LogD (pH = 7.4): 1.8551323
• Log P: 1.8568779
• Molar Refractivity: 47.0114 cm^3
• Polarizability: 17.595095 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 216°C
• Hydrophobicity(logP): 1.982

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%