2-(2-fluorophenoxy)-2-phenylethan-1-amine

• ChemBase ID: 808860
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: NCC(c1ccccc1)Oc1c(cccc1)F
• Canonical SMILES: NCC(c1ccccc1)Oc1ccccc1F
• InChI: InChI=1S/C14H14FNO/c15-12-8-4-5-9-13(12)17-14(10-16)11-6-2-1-3-7-11/h1-9,14H,10,16H2
• InChIKey: BQRTXVGYIVFOAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)-2-phenylethan-1-amine
• IUPAC Traditional name: 2-(2-fluorophenoxy)-2-phenylethanamine
• Synonyms: 2-(2-FLUORO-PHENOXY)-2-PHENYL-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.03908511
• LogD (pH = 7.4): 1.3478421
• Log P: 2.9455328
• Molar Refractivity: 64.9702 cm^3
• Polarizability: 25.451532 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%