ethyl[2-(4-methoxyphenoxy)ethyl]amine

• ChemBase ID: 312247
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(ccc(cc1)OCCNCC)OC
• Canonical SMILES: CCNCCOc1ccc(cc1)OC
• InChI: InChI=1S/C11H17NO2/c1-3-12-8-9-14-11-6-4-10(13-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: HNYCFGODLMERFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(4-methoxyphenoxy)ethyl]amine
• IUPAC Traditional name: ethyl[2-(4-methoxyphenoxy)ethyl]amine
• Synonyms: N-ethyl-2-(4-methoxyphenoxy)ethanamine

Database IDs

• CAS Number: 915921-32-3
• MDL Number: MFCD08691870

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5371356
• LogD (pH = 7.4): -0.5282642
• Log P: 1.6503078
• Molar Refractivity: 56.4574 cm^3
• Polarizability: 22.414602 Å^3
• Polar Surface Area: 30.49 Å^2