[2-(2,4-dimethylphenoxy)ethyl](methyl)amine

• ChemBase ID: 312266
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(ccc(c1)C)OCCNC)C
• Canonical SMILES: CNCCOc1ccc(cc1C)C
• InChI: InChI=1S/C11H17NO/c1-9-4-5-11(10(2)8-9)13-7-6-12-3/h4-5,8,12H,6-7H2,1-3H3
• InChIKey: VKPQWPROAMZZCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,4-dimethylphenoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(2,4-dimethylphenoxy)ethyl](methyl)amine
• Synonyms: 2-(2,4-dimethylphenoxy)-N-methylethanamine

Database IDs

• CAS Number: 91339-51-4
• MDL Number: MFCD08691877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.70015424
• LogD (pH = 7.4): 0.36607265
• Log P: 2.478014
• Molar Refractivity: 55.328 cm^3
• Polarizability: 21.604408 Å^3
• Polar Surface Area: 21.26 Å^2