Compound Identification
SMILES
COC1=CC=C(C=C1)N1CC[NH+](CCC2=CC=C(NCC3=CC=C(Br)C=C3)C=C2)CC1
InChIKey
InChIKey=WRUGLFOBBZMRJC-UHFFFAOYSA-O
Formula
C26H31BrN3O
Mass
481.457
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Phenylmethylamines
- Level 5 Phenylbenzamines
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Subclass
Phenylmethylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzamines
Alternative Parents
N-arylpiperazines Phenylpiperazines Aminophenyl ethers Methoxyanilines Phenethylamines Anisoles Benzylamines Dialkylarylamines Methoxybenzenes Phenylalkylamines Phenoxy compounds Secondary alkylarylamines Alkyl aryl ethers Bromobenzenes N-alkylpiperazines Aryl bromides Quaternary ammonium salts Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbenzamine - Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Phenethylamine - Methoxyaniline - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - N-alkylpiperazine - Aryl bromide - Piperazine - Aryl halide - 1,4-diazinane - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Secondary amine - Ether - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Amine - Organic oxygen compound - Organobromide - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors
Not available