[2-(3,4-dimethylphenoxy)ethyl](ethyl)amine

• ChemBase ID: 312494
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: c1(c(ccc(c1)OCCNCC)C)C
• Canonical SMILES: CCNCCOc1ccc(c(c1)C)C
• InChI: InChI=1S/C12H19NO/c1-4-13-7-8-14-12-6-5-10(2)11(3)9-12/h5-6,9,13H,4,7-8H2,1-3H3
• InChIKey: XIEDYTOSOIZJOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,4-dimethylphenoxy)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(3,4-dimethylphenoxy)ethyl](ethyl)amine
• Synonyms: 2-(3,4-dimethylphenoxy)-N-ethylethanamine

Database IDs

• CAS Number: 915921-62-9
• MDL Number: MFCD08691945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35249576
• LogD (pH = 7.4): 0.65721655
• Log P: 2.834822
• Molar Refractivity: 60.0766 cm^3
• Polarizability: 23.44961 Å^3
• Polar Surface Area: 21.26 Å^2