Compound Identification
SMILES
NCCC1=CC(=O)N=C(N1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XECHKYUSWSXSPC-UHFFFAOYSA-N
Formula
C12H12ClN3O
Mass
249.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Amines
-
Level 5
Primary amines
- Level 6 2-arylethylamines
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Level 5
Primary amines
-
Subclass
Amines
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Primary amines
Direct Parent
2-arylethylamines
Alternative Parents
Pyrimidones Chlorobenzenes Aralkylamines Hydropyrimidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-arylethylamine - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyrimidine - Aryl chloride - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic oxide - Primary aliphatic amine - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group.
External Descriptors
Not available