Compound Identification
SMILES
CC1=CC(O)=CC(C)=C1CC(C)(C)NCC(O)C1=C(C)C(O)=C(O)C=C1
InChIKey
InChIKey=WXLYIPSBOVVHNE-UHFFFAOYSA-N
Formula
C21H29NO4
Mass
359.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
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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
Amphetamines and derivatives
Alternative Parents
Phenylpropanes m-Xylenes Ortho cresols Meta cresols Catechols Toluenes Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Phenylpropane - M-xylene - Xylene - Catechol - M-cresol - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Toluene - Phenol - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors
Not available