[2-(3-fluorophenoxy)ethyl](methyl)amine

• ChemBase ID: 260303
• Molecular Formular: C9H12FNO
• Molecular Mass: 169.1960832
• Monoisotopic Mass: 169.09029223
• SMILES: c1c(F)cccc1OCCNC
• Canonical SMILES: CNCCOc1cccc(c1)F
• InChI: InChI=1S/C9H12FNO/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3
• InChIKey: WFOXAIJLPLVEMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-fluorophenoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(3-fluorophenoxy)ethyl](methyl)amine
• Synonyms: [2-(3-fluorophenoxy)ethyl](methyl)amine

Database IDs

• MDL Number: MFCD06247666
• PubChem SID: 164316213
• PubChem CID: 17170920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5769988
• LogD (pH = 7.4): -0.4712554
• Log P: 1.593873
• Molar Refractivity: 45.462 cm^3
• Polarizability: 17.713448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.85

Product Information

• Purity: 95%