2-ethyl-N-methylaniline

• ChemBase ID: 273767
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: c1(c(CC)cccc1)NC
• Canonical SMILES: CNc1ccccc1CC
• InChI: InChI=1S/C9H13N/c1-3-8-6-4-5-7-9(8)10-2/h4-7,10H,3H2,1-2H3
• InChIKey: CCYRVFJDASAJTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-methylaniline
• IUPAC Traditional name: 2-ethyl-N-methylaniline
• Synonyms: 2-ethyl-N-methylaniline

Database IDs

• MDL Number: MFCD03030394
• PubChem SID: 164329677
• PubChem CID: 6427075

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3585093
• LogD (pH = 7.4): 2.4034102
• Log P: 2.404014
• Molar Refractivity: 45.894 cm^3
• Polarizability: 16.955729 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.669

Product Information

• Purity: 95%