Compound Identification
SMILES
CC(C)C1=CC(C(C)C)=C(NCCN(CCNC2=C(C)C=CC=C2C)CC2=CC=CC=N2)C(=C1)C(C)C
InChIKey
InChIKey=NRKIVQHTRLXAAW-UHFFFAOYSA-N
Formula
C33H48N4
Mass
500.775
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 m-Xylenes Phenylalkylamines Aniline and substituted anilines 2-pyridylmethylamines Secondary alkylarylamines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - 2-pyridylmethylamine - M-xylene - Xylene - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Amine - Organopnictogen compound - 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