EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:125360 - 3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-1-propanamine

ChEBI IDCHEBI:125360
ChEBI Name3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-1-propanamine
Stars
DownloadsMolfile
FormulaC18H17FN2O
Net Charge0
Average Mass296.345
Monoisotopic Mass296.13249
SMILES[C-]#[N+]c1ccc2c(c1)COC2(CCCN)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O/c1-21-16-7-8-17-13(11-16)12-22-18(17,9-2-10-20)14-3-5-15(19)6-4-14/h3-8,11H,2,9-10,12,20H2
InChIKeyMKBRBMQWWXUBRC-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]-1-propanamine (CHEBI:125360) is a benzenes (CHEBI:22712)
3-[1-(4-fluorophenyl)-5-isocyano-3H-isobenzofuran-1-yl]-1-propanamine (CHEBI:125360) is a organic amino compound (CHEBI:50047)
Manual XrefsDatabases
LSM-36834LINCS