Compound Identification
SMILES
I.CNC([O-])=O.CCC([NH3+])(CC)C1=C(C)C=C(O)C=C1
InChIKey
InChIKey=HKRPKUMEZKDFMD-UHFFFAOYSA-N
Formula
C14H25IN2O3
Mass
396.269
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Meta cresols Toluenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Quaternary ammonium salts Carbamic acids Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenylpropane - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Aralkylamine - Quaternary ammonium salt - Carbamic acid - Carbamic acid derivative - Organic zwitterion - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available