Compound Identification
SMILES
N#C[C@H]1C[NH+](CC2=CC=CC=C2)C[C@@H]1C#N
InChIKey
InChIKey=XIWMQEMWDVQAEC-STQMWFEESA-O
Formula
C13H14N3
Mass
212.275
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 Aralkylamines N-alkylpyrrolidines Quaternary ammonium salts Trialkylamines Nitriles Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Quaternary ammonium salt - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Amine - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organic nitrogen compound - Organic cation - 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