methyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine

• ChemBase ID: 274369
• Molecular Formular: C6H13F3N2
• Molecular Mass: 170.1760296
• Monoisotopic Mass: 170.10308309
• SMILES: C(CN(CCNC)C)(F)(F)F
• Canonical SMILES: CNCCN(CC(F)(F)F)C
• InChI: InChI=1S/C6H13F3N2/c1-10-3-4-11(2)5-6(7,8)9/h10H,3-5H2,1-2H3
• InChIKey: LJCAHQSUHHXWPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine
• IUPAC Traditional name: methyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine
• Synonyms: methyl({2-[methyl(2,2,2-trifluoroethyl)amino]ethyl})amine

Database IDs

• MDL Number: MFCD12167703
• PubChem SID: 164330279
• PubChem CID: 43374422

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4341934
• LogD (pH = 7.4): -1.6776645
• Log P: 0.7808623
• Molar Refractivity: 38.1626 cm^3
• Polarizability: 14.1884985 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.774

Product Information

• Purity: 95%