N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine bmse011474 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C9H10F3N

Natural Isotopic Abundance Mass: 189.1776095999999

Mono-Isotopic Molecular Masses:

  • C12N14: 189.076533985
  • C13N14: 198.10672752700003
  • C12N15: 190.073568878
  • C13N15: 199.10376242000004

InChI string: InChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3

IUPAC: N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)