Compound Identification
SMILES
CC1(C)O[C@@H](\C=C\C#N)[C@@H](O1)[C@@H](CC#N)NCC1=CC=CC=C1
InChIKey
InChIKey=NMQSAFGIPOSPJA-LDINSXDUSA-N
Formula
C18H21N3O2
Mass
311.385
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Ketals Aralkylamines 1,3-dioxolanes Oxacyclic compounds Nitriles Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Aralkylamine - Ketal - Meta-dioxolane - Acetal - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available