{[2-(4-fluorophenoxy)phenyl]methyl}(methyl)amine

• ChemBase ID: 297580
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: CNCc1ccccc1Oc1ccc(cc1)F
• Canonical SMILES: CNCc1ccccc1Oc1ccc(cc1)F
• InChI: InChI=1S/C14H14FNO/c1-16-10-11-4-2-3-5-14(11)17-13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3
• InChIKey: BSDBBIKNDVSUNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-fluorophenoxy)phenyl]methyl}(methyl)amine
• IUPAC Traditional name: {[2-(4-fluorophenoxy)phenyl]methyl}(methyl)amine
• Synonyms: 1-[2-(4-Fluorophenoxy)phenyl]-N-methylmethylamine; 2-(4-Fluorophenoxy)-N-methylbenzylamine; 2-(4-氟苯氧基)-N-甲基苄胺

Database IDs

• CAS Number: 833482-53-4
• MDL Number: MFCD08064245
• PubChem SID: 180683111
• PubChem CID: 10421413

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.060010888
• LogD (pH = 7.4): 1.3747661
• Log P: 3.1745837
• Molar Refractivity: 65.7632 cm^3
• Polarizability: 25.508682 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: 96%