4-ethoxy-N-methylaniline

• ChemBase ID: 277831
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(NC)ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)NC
• InChI: InChI=1S/C9H13NO/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7,10H,3H2,1-2H3
• InChIKey: URTYQKUVSRCNAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-N-methylaniline
• IUPAC Traditional name: 4-ethoxy-N-methylaniline
• Synonyms: 4-ethoxy-N-methylaniline

Database IDs

• MDL Number: MFCD03411358
• PubChem SID: 164333741
• PubChem CID: 579022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2289464
• LogD (pH = 7.4): 1.6364216
• Log P: 1.6451607
• Molar Refractivity: 47.4636 cm^3
• Polarizability: 17.672972 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.273

Product Information

• Purity: 95%