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CHEBI:125419 - 3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N-methyl-1-propanamine

ChEBI IDCHEBI:125419
ChEBI Name3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N-methyl-1-propanamine
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FormulaC19H19FN2O
Net Charge0
Average Mass310.372
Monoisotopic Mass310.14814
SMILES[C-]#[N+]c1ccc2c(c1)COC2(CCCNC)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-21-11-3-10-19(15-4-6-16(20)7-5-15)18-9-8-17(22-2)12-14(18)13-23-19/h4-9,12,21H,3,10-11,13H2,1H3
InChIKeyRZHGLMJUOVZVJO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N-methyl-1-propanamine (CHEBI:125419) is a benzenes (CHEBI:22712)
3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-N-methyl-1-propanamine (CHEBI:125419) is a organic amino compound (CHEBI:50047)
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