Compound Identification
SMILES
O=C1OCC[C@@H]2C[NH+](CC3=CC=CC=C3)C[C@@H]12
InChIKey
InChIKey=XLCRTPSFIQQHEF-CHWSQXEVSA-O
Formula
C14H18NO2
Mass
232.302
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 Delta valerolactones Aralkylamines Oxanes N-alkylpyrrolidines Quaternary ammonium salts Trialkylamines Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Delta valerolactone - Delta_valerolactone - Aralkylamine - Oxane - N-alkylpyrrolidine - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic cation - Aromatic heteropolycyclic 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