Cas no 174181-16-9 (N-(propan-2-yl)-4-(trifluoromethoxy)aniline)

N-(propan-2-yl)-4-(trifluoromethoxy)aniline is a fluorinated aromatic amine derivative characterized by the presence of a trifluoromethoxy (–OCF?) and an isopropylamino (–NHCH(CH?)?) substituent on the benzene ring. This compound exhibits notable stability and lipophilicity due to the electron-withdrawing trifluoromethoxy group, enhancing its utility in agrochemical and pharmaceutical applications. The isopropylamine moiety contributes to its reactivity as an intermediate in synthesis, particularly in the development of active ingredients for crop protection or medicinal compounds. Its structural features make it valuable for derivatization and further functionalization, offering versatility in fine chemical manufacturing. The compound is typically handled under controlled conditions due to its potential sensitivity to light and moisture.
N-(propan-2-yl)-4-(trifluoromethoxy)aniline structure
174181-16-9 structure
Product Name:N-(propan-2-yl)-4-(trifluoromethoxy)aniline
CAS No:174181-16-9
MF:C10H12F3NO
MW:219.203593254089
CID:1359132
PubChem ID:28449673
Update Time:2025-06-07

N-(propan-2-yl)-4-(trifluoromethoxy)aniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, N-(1-methylethyl)-4-(trifluoromethoxy)-
    • N-(propan-2-yl)-4-(trifluoromethoxy)aniline
    • Isopropyl-(4-trifluoromethoxy-phenyl)-amine
    • SCHEMBL8359975
    • AKOS000232199
    • CS-0304265
    • EN300-164872
    • N-isopropyl-4-(trifluoromethoxy)aniline
    • 174181-16-9
    • Inchi: 1S/C10H12F3NO/c1-7(2)14-8-3-5-9(6-4-8)15-10(11,12)13/h3-7,14H,1-2H3
    • InChI Key: IEUGASXGIGWNCK-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC(=CC=1)NC(C)C)(F)F

Computed Properties

  • Exact Mass: 219.08716
  • Monoisotopic Mass: 219.08709849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 186
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 21.3?2

Experimental Properties

  • PSA: 21.26

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