dimethyl({[2-(trifluoromethoxy)phenyl]methyl})amine

• ChemBase ID: 94023
• Molecular Formular: C10H12F3NO
• Molecular Mass: 219.2035896
• Monoisotopic Mass: 219.08709867
• SMILES: N(Cc1ccccc1OC(F)(F)F)(C)C
• Canonical SMILES: CN(Cc1ccccc1OC(F)(F)F)C
• InChI: InChI=1S/C10H12F3NO/c1-14(2)7-8-5-3-4-6-9(8)15-10(11,12)13/h3-6H,7H2,1-2H3
• InChIKey: NFYYZWZENHFMOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[2-(trifluoromethoxy)phenyl]methyl})amine
• IUPAC Traditional name: dimethyl({[2-(trifluoromethoxy)phenyl]methyl})amine
• Synonyms: 2'-(Trifluoromethoxy)-N,N-dimethylbenzylamine

Database IDs

• MDL Number: MFCD07368741
• PubChem SID: 162080678
• PubChem CID: 2783202

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8665992
• LogD (pH = 7.4): 2.6320841
• Log P: 3.3457541
• Molar Refractivity: 47.671 cm^3
• Polarizability: 19.175924 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant