Compound Identification
SMILES
COC1=C(O[C@H](C=O)C2=C3CCNCCN3C3=CC=CC=C23)C=CC(Br)=C1
InChIKey
InChIKey=TXLCSRBIDWLUHT-HXUWFJFHSA-N
Formula
C21H21BrN2O3
Mass
429.314
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Aralkylamines Alkyl aryl ethers Substituted pyrroles Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Benzenoid - Substituted pyrrole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available