[1-(3-fluoro-4-methoxyphenyl)ethyl](methyl)amine

• ChemBase ID: 58034
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(cc(ccc1OC)C(NC)C)F
• Canonical SMILES: CNC(c1ccc(c(c1)F)OC)C
• InChI: InChI=1S/C10H14FNO/c1-7(12-2)8-4-5-10(13-3)9(11)6-8/h4-7,12H,1-3H3
• InChIKey: QKQPASLTUKTNJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-fluoro-4-methoxyphenyl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(3-fluoro-4-methoxyphenyl)ethyl](methyl)amine
• Synonyms: [1-(3-Fluoro-4-methoxyphenyl)ethyl]methylamine

Database IDs

• MDL Number: MFCD09939699
• PubChem SID: 162062797
• PubChem CID: 24700676

CALCULATED PROPERTIES

• Log P: 1.9332004
• Molar Refractivity: 50.4044 cm^3
• Polarizability: 19.545816 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.224712
• LogD (pH = 7.4): -0.05808896

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false