Compound Identification
SMILES
CC(C)C1=CC=CC=C1OC[C@H](O)CN1CC[NH+](C[C@@H]2CCCO2)CC1
InChIKey
InChIKey=NIAPNSAWYBGWMH-MOPGFXCFSA-O
Formula
C21H35N2O3
Mass
363.521
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 Phenoxy compounds Phenol ethers N-alkylpiperazines Alkyl aryl ethers Quaternary ammonium salts Oxolanes Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Oxolane - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic cation - 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