4-ethoxy-3-methylaniline

• ChemBase ID: 264076
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: c1(c(ccc(c1)N)OCC)C
• Canonical SMILES: CCOc1ccc(cc1C)N
• InChI: InChI=1S/C9H13NO/c1-3-11-9-5-4-8(10)6-7(9)2/h4-6H,3,10H2,1-2H3
• InChIKey: AEOOTFBLNLIOJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08687712
• PubChem SID: 164319986
• PubChem CID: 20543248

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6107247
• LogD (pH = 7.4): 1.8527105
• Log P: 1.8568779
• Molar Refractivity: 47.0114 cm^3
• Polarizability: 17.595901 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.032

Product Information

• Purity: 95%