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

• ChemBase ID: 311946
• Molecular Formular: C15H16FNO
• Molecular Mass: 245.2920432
• Monoisotopic Mass: 245.12159236
• SMILES: c1(c(OCCNCc2ccccc2)cccc1)F
• Canonical SMILES: Fc1ccccc1OCCNCc1ccccc1
• InChI: InChI=1S/C15H16FNO/c16-14-8-4-5-9-15(14)18-11-10-17-12-13-6-2-1-3-7-13/h1-9,17H,10-12H2
• InChIKey: RAQVOXNSOSDWHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 884497-70-5
• MDL Number: MFCD05863722

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2135411
• LogD (pH = 7.4): 1.5538745
• Log P: 3.3183463
• Molar Refractivity: 70.0746 cm^3
• Polarizability: 27.297318 Å^3
• Polar Surface Area: 21.26 Å^2