Compound Identification
SMILES
I.CNC([O-])=O.CC1=CC(C)=C(O)C=C1[N+](C)(C)C
InChIKey
InChIKey=KQIODTLALWMLIU-UHFFFAOYSA-N
Formula
C13H23IN2O3
Mass
382.242
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
Xylenols
Alternative Parents
m-Xylenes m-Aminophenols Para cresols Ortho cresols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Carbamic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Not available
Substituents
Xylenol - Aminophenol - M-aminophenol - O-cresol - P-cresol - Aniline or substituted anilines - M-xylene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carbamic acid derivative - Carbamic acid - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as xylenols. These are aromatic compounds that contain a xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups, and at least one hydroxyl group.
External Descriptors
Not available