Compound Identification
SMILES
CC1=CC(Br)=C(NC[C@@H](O)C[NH+]=C(N)N)C=C1
InChIKey
InChIKey=YURPIHSKYCLLHR-MRVPVSSYSA-O
Formula
C11H18BrN4O
Mass
302.195
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
Phenylalkylamines 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Secondary alcohols Guanidines 1,2-aminoalcohols Carboximidamides Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aryl bromide - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Guanidine - Carboximidamide - Secondary amine - Organic nitrogen compound - Alcohol - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic cation - 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