Compound Identification
SMILES
CC(O)CCNC1=CC(C)=C(CCN)C=C1
InChIKey
InChIKey=HRKHQPPDJYXKQP-UHFFFAOYSA-N
Formula
C13H22N2O
Mass
222.332
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenethylamines
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Aminotoluenes 2-arylethylamines Secondary alkylarylamines 1,3-aminoalcohols Secondary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenethylamine - 2-arylethylamine - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Toluene - 1,3-aminoalcohol - Secondary alcohol - Secondary amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
External Descriptors
Not available