CHEBI:91736 - 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine

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ChEBI Name 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine
ChEBI ID CHEBI:91736
Definition A member of the class of indoles that is 6-chloro-5-fluoroindole in which the hydrogen attached to the nitrogen has been replaced by a 2-aminopropyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H12ClFN2
Net Charge 0
Average Mass 226.678
Monoisotopic Mass 226.06730
InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
InChIKey XJJZQXUGLLXTHO-UHFFFAOYSA-N
SMILES CC(CN1C=CC2=CC(=C(C=C21)Cl)F)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:91736) is a indoles (CHEBI:24828)
1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:91736) is a organochlorine compound (CHEBI:36683)
1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:91736) is a organofluorine compound (CHEBI:37143)
1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:91736) is a primary amino compound (CHEBI:50994)
Incoming (2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:142183) is a 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:91736)
IUPAC Name
1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
Synonyms Sources
1-(6-chloro-5-fluoro-1-indolyl)-2-propanamine ChEBI
2-(6-chloro-5-fluoroindol-1-yl)-1-methylethylamine ChEBI
Manual Xref Database
LSM-1601 LINCS
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Last Modified
11 September 2018
General Comment
2018-09-11 This is the entry for material with unspecified configuration. There is a separate entry for the (S)-enantiomer (which is a selective 5-hydroxytryptamine 2B and 2C receptor agonist).