Cas no 1274903-40-0 ((3-trifluoromethanesulfonylphenyl)methanamine)

(3-Trifluoromethanesulfonylphenyl)methanamine is a versatile aromatic amine compound featuring a trifluoromethanesulfonyl (triflyl) group at the meta position relative to the aminomethyl substituent. The electron-withdrawing triflyl group enhances the compound's reactivity in nucleophilic substitution and metal-catalyzed coupling reactions, making it valuable for pharmaceutical and agrochemical synthesis. The presence of both amine and sulfonyl functionalities allows for diverse derivatization, enabling applications as a building block in medicinal chemistry, particularly for designing bioactive molecules with improved metabolic stability. Its structural features contribute to enhanced lipophilicity and membrane permeability, beneficial for drug discovery. The compound's stability under various reaction conditions and compatibility with common protecting groups further increases its utility in multi-step synthetic routes.
(3-trifluoromethanesulfonylphenyl)methanamine structure
1274903-40-0 structure
Product Name:(3-trifluoromethanesulfonylphenyl)methanamine
CAS No:1274903-40-0
MF:C8H8F3NO2S
MW:239.214831352234
MDL:MFCD25460327
CID:4692672
PubChem ID:69971943
Update Time:2025-07-02

(3-trifluoromethanesulfonylphenyl)methanamine Chemical and Physical Properties

Names and Identifiers

    • 3-(Trifluoromethylsulfonyl)benzylamine
    • (3-trifluoromethanesulfonylphenyl)methanamine
    • MDL: MFCD25460327
    • Inchi: 1S/C8H8F3NO2S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
    • InChI Key: YQPOVRLFYHVUFY-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(C1C=CC=C(CN)C=1)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 307
  • XLogP3: 0.7
  • Topological Polar Surface Area: 68.5

(3-trifluoromethanesulfonylphenyl)methanamine Pricemore >>

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