N-ethyl-3-methoxyaniline

• ChemBase ID: 255588
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1c(NCC)cccc1OC
• Canonical SMILES: CCNc1cccc(c1)OC
• InChI: InChI=1S/C9H13NO/c1-3-10-8-5-4-6-9(7-8)11-2/h4-7,10H,3H2,1-2H3
• InChIKey: AFQXCZCRJSGHPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-methoxyaniline
• IUPAC Traditional name: N-ethyl-3-methoxyaniline
• Synonyms: N-ethyl-3-methoxyaniline

Database IDs

• MDL Number: MFCD03210693
• PubChem SID: 164311498
• PubChem CID: 586008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6063086
• LogD (pH = 7.4): 1.6446491
• Log P: 1.6451607
• Molar Refractivity: 47.4636 cm^3
• Polarizability: 17.6742 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%