[2-(2-fluorophenoxy)ethyl](2-methoxyethyl)amine

• ChemBase ID: 311181
• Molecular Formular: C11H16FNO2
• Molecular Mass: 213.2486432
• Monoisotopic Mass: 213.11650698
• SMILES: c1(c(OCCNCCOC)cccc1)F
• Canonical SMILES: COCCNCCOc1ccccc1F
• InChI: InChI=1S/C11H16FNO2/c1-14-8-6-13-7-9-15-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
• InChIKey: PHUFVPYAHWQJKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 420102-44-9
• MDL Number: MFCD02633061

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.445338
• LogD (pH = 7.4): 0.08782386
• Log P: 1.5468975
• Molar Refractivity: 56.5055 cm^3
• Polarizability: 22.102041 Å^3
• Polar Surface Area: 30.49 Å^2