Compound Identification
SMILES
CCC(C)C(O)=O.CC1=CC(Cl)=C(N)C=C1
InChIKey
InChIKey=MWZJXQXFHYPRNH-UHFFFAOYSA-N
Formula
C12H18ClNO2
Mass
243.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Aminotoluenes
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Aniline and substituted anilines Methyl-branched fatty acids Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Aminotoluene - Aniline or substituted anilines - Branched fatty acid - Chlorobenzene - Methyl-branched fatty acid - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
External Descriptors
Not available