[2-(difluoromethoxy)-5-methoxyphenyl]methanamine

• ChemBase ID: 237379
• Molecular Formular: C9H11F2NO2
• Molecular Mass: 203.1859464
• Monoisotopic Mass: 203.07578504
• SMILES: c1(c(OC(F)F)ccc(c1)OC)CN
• Canonical SMILES: NCc1cc(OC)ccc1OC(F)F
• InChI: InChI=1S/C9H11F2NO2/c1-13-7-2-3-8(14-9(10)11)6(4-7)5-12/h2-4,9H,5,12H2,1H3
• InChIKey: FPHGUWBMDJCQIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(difluoromethoxy)-5-methoxyphenyl]methanamine
• IUPAC Traditional name: [2-(difluoromethoxy)-5-methoxyphenyl]methanamine
• Synonyms: [2-(difluoromethoxy)-5-methoxyphenyl]methanamine

Database IDs

• MDL Number: MFCD11625642
• PubChem SID: 164293289
• PubChem CID: 43268183

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1504365
• LogD (pH = 7.4): 0.2610214
• Log P: 1.7104299
• Molar Refractivity: 47.4667 cm^3
• Polarizability: 18.25676 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.548

Product Information

• Purity: 95%