[(2-fluorophenyl)methyl](2-methoxyethyl)amine

• ChemBase ID: 312243
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(c(F)cccc1)CNCCOC
• Canonical SMILES: COCCNCc1ccccc1F
• InChI: InChI=1S/C10H14FNO/c1-13-7-6-12-8-9-4-2-3-5-10(9)11/h2-5,12H,6-8H2,1H3
• InChIKey: NDWGOVPDNOAEBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](2-methoxyethyl)amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl](2-methoxyethyl)amine
• Synonyms: (2-fluorobenzyl)(2-methoxyethyl)amine

Database IDs

• CAS Number: 247907-28-4
• MDL Number: MFCD07408106

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0880511
• LogD (pH = 7.4): 0.6173764
• Log P: 1.6273211
• Molar Refractivity: 50.5659 cm^3
• Polarizability: 19.56235 Å^3
• Polar Surface Area: 21.26 Å^2