Compound Identification
SMILES
CC[NH+]1CC[NH+](CC2=C(O)C=CC(Br)=C2)CC1
InChIKey
InChIKey=XATJQMQCTCNHKL-UHFFFAOYSA-P
Formula
C13H21BrN2O
Mass
301.227
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
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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
P-bromophenols Benzylamines N-alkylpiperazines Bromobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Quaternary ammonium salts Trialkylamines Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - 4-halophenol - 4-bromophenol - Phenylmethylamine - Bromobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - Aralkylamine - Piperazine - Aryl halide - 1,4-diazinane - Aryl bromide - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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