Compound Identification
SMILES
CC(C)C1=CC=CC(C(C)C)=C1NCC1=CC=CC(CNC2=C(C=CC=C2C(C)C)C(C)C)=N1
InChIKey
InChIKey=QNPTURJQAQETQD-UHFFFAOYSA-N
Formula
C31H43N3
Mass
457.706
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes 6-substituted-2-pyridinylmethylamines Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - 6-substituted-2-pyridinylmethylamine - Phenylpropane - 2-pyridylmethylamine - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Pyridine - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available