Compound Identification
SMILES
CC(NCCC1=CC=CC=C1)=C(C#N)C(N)=O
InChIKey
InChIKey=DCNMDQUZPDIMOB-UHFFFAOYSA-N
Formula
C13H15N3O
Mass
229.283
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenethylamines
Alternative Parents
Aralkylamines Vinylogous amides Primary carboxylic acid amides Nitriles Enamines Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenethylamine - Aralkylamine - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
External Descriptors
Not available