1-(3-fluorophenyl)-N-(furan-2-ylmethyl)methanamine

1-(3-fluorophenyl)-N-(furan-2-ylmethyl)methanamine bmse011689 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H12FNO

Natural Isotopic Abundance Mass: 205.22818319999988

Mono-Isotopic Molecular Masses:

  • C12N14: 205.090292229
  • C13N14: 217.13055028500006
  • C12N15: 206.087327122
  • C13N15: 218.12758517800006

InChI string: InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2

IUPAC: 1-(3-fluorophenyl)-N-(furan-2-ylmethyl)methanamine

wwPDB CCD: T0V

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)