[(2-fluoro-6-phenoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 297793
• Molecular Formular: C14H15ClFNO
• Molecular Mass: 267.7264032
• Monoisotopic Mass: 267.08262001
• SMILES: CNCc1c(cccc1F)Oc1ccccc1.Cl
• Canonical SMILES: CNCc1c(cccc1F)Oc1ccccc1.Cl
• InChI: InChI=1S/C14H14FNO.ClH/c1-16-10-12-13(15)8-5-9-14(12)17-11-6-3-2-4-7-11;/h2-9,16H,10H2,1H3;1H
• InChIKey: HHOQSRNTBSKBJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluoro-6-phenoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-fluoro-6-phenoxyphenyl)methyl](methyl)amine hydrochloride
• Synonyms: 1-(2-Fluoro-6-phenoxyphenyl)-N-methylmethylamine hydrochloride; 2-Fluoro-N-methyl-6-phenoxybenzylamine hydrochloride; 2-氟-N-甲基-6-苯氧基苄胺盐酸盐

Database IDs

• CAS Number: 902836-71-9
• MDL Number: MFCD12546206
• PubChem SID: 180683324
• PubChem CID: 53415986

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.35619324
• LogD (pH = 7.4): 2.0230904
• Log P: 3.1745837
• Molar Refractivity: 65.7632 cm^3
• Polarizability: 25.508692 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• 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: P280G-P305+P351+P338

Product Information

• Purity: 98%