N,N-dimethyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}aniline

• ChemBase ID: 270476
• Molecular Formular: C11H15F3N2
• Molecular Mass: 232.2454096
• Monoisotopic Mass: 232.11873315
• SMILES: C(F)(F)(F)CNCc1ccc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)CNCC(F)(F)F)C
• InChI: InChI=1S/C11H15F3N2/c1-16(2)10-5-3-9(4-6-10)7-15-8-11(12,13)14/h3-6,15H,7-8H2,1-2H3
• InChIKey: LSEWHMCQBXZTEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}aniline
• IUPAC Traditional name: N,N-dimethyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}aniline
• Synonyms: N,N-dimethyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}aniline

Database IDs

• MDL Number: MFCD09938951
• PubChem SID: 164326386
• PubChem CID: 24699996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4200268
• LogD (pH = 7.4): 2.592179
• Log P: 2.5947347
• Molar Refractivity: 59.1847 cm^3
• Polarizability: 21.408783 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.468

Product Information

• Purity: 95%