Compound Identification
SMILES
CC(CCNCC1CN(CC2=CC=CC=C2)C2=CC=CC=C2O1)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=ICTJROWWHLFSJJ-UHFFFAOYSA-N
Formula
C28H31N3O
Mass
425.576
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Tryptamines and derivatives
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Tryptamines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tryptamines and derivatives
Alternative Parents
Benzoxazines Benzomorpholines 3-alkylindoles Phenylmethylamines Dialkylarylamines Benzylamines Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triptan - Benzomorpholine - Benzoxazine - 3-alkylindole - Indole - Phenylmethylamine - Benzylamine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Oxazinane - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Secondary aliphatic amine - Ether - Secondary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
External Descriptors
Not available