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

• ChemBase ID: 312538
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(c(OCCNCC)cccc1)F
• Canonical SMILES: CCNCCOc1ccccc1F
• InChI: InChI=1S/C10H14FNO/c1-2-12-7-8-13-10-6-4-3-5-9(10)11/h3-6,12H,2,7-8H2,1H3
• InChIKey: RFPTTZZABGFBDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915920-96-6
• MDL Number: MFCD08691956

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2251742
• LogD (pH = 7.4): -0.14594445
• Log P: 1.950681
• Molar Refractivity: 50.2106 cm^3
• Polarizability: 19.550848 Å^3
• Polar Surface Area: 21.26 Å^2