Compound Identification
SMILES
COC1=CC=C(C[NH+]2CCCN(CC2)C(=O)COC2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=AXVZVRDATMIOHZ-UHFFFAOYSA-O
Formula
C21H26BrN2O3
Mass
434.353
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
Phenoxy compounds Methoxybenzenes Anisoles Benzylamines 1,4-diazepanes Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Quaternary ammonium salts Trialkylamines Amino acids and derivatives Azacyclic compounds Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ether - Phenylmethylamine - Benzylamine - Methoxybenzene - Anisole - Phenoxy compound - Bromobenzene - Aralkylamine - Halobenzene - Alkyl aryl ether - Diazepane - 1,4-diazepane - Aryl halide - Aryl bromide - Tertiary carboxylic acid amide - Quaternary ammonium salt - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organobromide - Organic oxide - Organohalogen 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