N-ethyl-2,3-dimethylaniline

• ChemBase ID: 255589
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(c(NCC)cccc1C)C
• Canonical SMILES: CCNc1cccc(c1C)C
• InChI: InChI=1S/C10H15N/c1-4-11-10-7-5-6-8(2)9(10)3/h5-7,11H,4H2,1-3H3
• InChIKey: IILPUHXLVPEPAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,3-dimethylaniline
• IUPAC Traditional name: N-ethyl-2,3-dimethylaniline
• Synonyms: N-ethyl-2,3-dimethylaniline

Database IDs

• MDL Number: MFCD00009026
• PubChem SID: 164311499
• PubChem CID: 584336

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.720365
• LogD (pH = 7.4): 2.8281114
• Log P: 2.8296747
• Molar Refractivity: 51.0828 cm^3
• Polarizability: 18.721933 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.118

Product Information

• Purity: 95%