2,6-diethyl-N-methylaniline

• ChemBase ID: 35597
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: c1(c(cccc1CC)CC)NC
• Canonical SMILES: CNc1c(CC)cccc1CC
• InChI: InChI=1S/C11H17N/c1-4-9-7-6-8-10(5-2)11(9)12-3/h6-8,12H,4-5H2,1-3H3
• InChIKey: QVNJPMLNHZDCFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethyl-N-methylaniline
• IUPAC Traditional name: 2,6-diethyl-N-methylaniline
• Synonyms: N-(2,6-Diethylphenyl)-N-methylamine

Database IDs

• MDL Number: MFCD12027313
• PubChem SID: 160998904
• PubChem CID: 15569855

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3282926
• LogD (pH = 7.4): 3.361563
• Log P: 3.362004
• Molar Refractivity: 55.5362 cm^3
• Polarizability: 20.567535 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false