[2-(2-ethylphenoxy)ethyl](methyl)amine

• ChemBase ID: 312297
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(CC)cccc1)OCCNC
• Canonical SMILES: CNCCOc1ccccc1CC
• InChI: InChI=1S/C11H17NO/c1-3-10-6-4-5-7-11(10)13-9-8-12-2/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: VIKWYIGBGCPHGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 57162-89-7
• MDL Number: MFCD08691886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.76682854
• LogD (pH = 7.4): 0.31165737
• Log P: 2.409161
• Molar Refractivity: 54.8878 cm^3
• Polarizability: 21.684055 Å^3
• Polar Surface Area: 21.26 Å^2