[2-(4-ethoxyphenoxy)ethyl](methyl)amine

• ChemBase ID: 312579
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(ccc(cc1)OCCNC)OCC
• Canonical SMILES: CNCCOc1ccc(cc1)OCC
• InChI: InChI=1S/C11H17NO2/c1-3-13-10-4-6-11(7-5-10)14-9-8-12-2/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: QVVNFISOVKFLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915920-99-9
• MDL Number: MFCD08691966

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5266306
• LogD (pH = 7.4): -0.45343265
• Log P: 1.6503078
• Molar Refractivity: 56.4574 cm^3
• Polarizability: 22.414442 Å^3
• Polar Surface Area: 30.49 Å^2