{2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl}(methyl)amine

• ChemBase ID: 276495
• Molecular Formular: C11H14F3NO
• Molecular Mass: 233.2301696
• Monoisotopic Mass: 233.10274873
• SMILES: C(c1cc(C(NC)COC)ccc1)(F)(F)F
• Canonical SMILES: COCC(c1cccc(c1)C(F)(F)F)NC
• InChI: InChI=1S/C11H14F3NO/c1-15-10(7-16-2)8-4-3-5-9(6-8)11(12,13)14/h3-6,10,15H,7H2,1-2H3
• InChIKey: MLYOKIOAFOIIFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl}(methyl)amine
• IUPAC Traditional name: {2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl}(methyl)amine
• Synonyms: {2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl}(methyl)amine

Database IDs

• MDL Number: MFCD16099420
• PubChem SID: 164332405
• PubChem CID: 54594213

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6003778
• LogD (pH = 7.4): 0.8938307
• Log P: 2.4222348
• Molar Refractivity: 55.9934 cm^3
• Polarizability: 20.982422 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.344

Product Information

• Purity: 95%