Compound Identification
SMILES
OC1=C(O)C=C(CCNC2=C3C=CC(Cl)=CC3=NC=C2)C=C1
InChIKey
InChIKey=DWSNZLLFABJSRZ-UHFFFAOYSA-N
Formula
C17H15ClN2O2
Mass
314.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
-
Level 5
Catechols
- Level 6 Catecholamines and derivatives
-
Level 5
Catechols
-
Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Catechols
Direct Parent
Catecholamines and derivatives
Alternative Parents
Chloroquinolines 4-aminoquinolines Phenethylamines Secondary alkylarylamines Aralkylamines Aminopyridines and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminoquinoline - Catecholamine - Chloroquinoline - Haloquinoline - 4-aminoquinoline - Quinoline - Phenethylamine - Aminopyridine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Secondary aliphatic/aromatic amine - 1-hydroxy-4-unsubstituted benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.
External Descriptors
Not available