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

• ChemBase ID: 15784
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1ccc(c(c1)OCCCNC)F
• Canonical SMILES: CNCCCOc1ccccc1F
• InChI: InChI=1S/C10H14FNO/c1-12-7-4-8-13-10-6-3-2-5-9(10)11/h2-3,5-6,12H,4,7-8H2,1H3
• InChIKey: TWZJXWNTOQIRIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-fluorophenoxy)propyl](methyl)amine
• IUPAC Traditional name: [3-(2-fluorophenoxy)propyl](methyl)amine
• Synonyms: [3-(2-Fluorophenoxy)propyl]methylamine; 3-(2-fluorophenoxy)-N-methyl-1-propanamine

Database IDs

• CAS Number: 883542-63-0
• MDL Number: MFCD06800760
• PubChem SID: 160979091
• PubChem CID: 23004750

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5696962
• LogD (pH = 7.4): -0.9399654
• Log P: 1.6538328
• Molar Refractivity: 50.3274 cm^3
• Polarizability: 19.550905 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false