[(5-fluoro-2-phenoxyphenyl)methyl](methyl)amine

• ChemBase ID: 297575
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: CNCc1cc(ccc1Oc1ccccc1)F
• Canonical SMILES: CNCc1cc(F)ccc1Oc1ccccc1
• InChI: InChI=1S/C14H14FNO/c1-16-10-11-9-12(15)7-8-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3
• InChIKey: JDHPXUQPTBDLHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-fluoro-2-phenoxyphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(5-fluoro-2-phenoxyphenyl)methyl](methyl)amine
• Synonyms: 1-(5-Fluoro-2-phenoxyphenyl)-N-methylmethylamine; 5-Fluoro-N-methyl-2-phenoxybenzylamine; 5-氟-N-甲基-2-苯氧基苄胺

Database IDs

• CAS Number: 476310-75-5
• MDL Number: MFCD08064241
• PubChem SID: 180683106
• PubChem CID: 24208815

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1442037
• LogD (pH = 7.4): 1.6272612
• Log P: 3.1745837
• Molar Refractivity: 65.7632 cm^3
• Polarizability: 25.508665 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%