[2-(3-ethoxyphenoxy)ethyl](methyl)amine

• ChemBase ID: 312446
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1c(OCC)cccc1OCCNC
• Canonical SMILES: CNCCOc1cccc(c1)OCC
• InChI: InChI=1S/C11H17NO2/c1-3-13-10-5-4-6-11(9-10)14-8-7-12-2/h4-6,9,12H,3,7-8H2,1-2H3
• InChIKey: DAGCKUWREJSPTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-ethoxyphenoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(3-ethoxyphenoxy)ethyl](methyl)amine
• Synonyms: 2-(3-ethoxyphenoxy)-N-methylethanamine

Database IDs

• CAS Number: 915921-56-1
• MDL Number: MFCD08691929

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5221219
• LogD (pH = 7.4): -0.42445803
• Log P: 1.6503078
• Molar Refractivity: 56.4574 cm^3
• Polarizability: 22.415386 Å^3
• Polar Surface Area: 30.49 Å^2