Compound Identification
SMILES
COC1=CC(C[NH+]2CC[NH+](CC3=CC=C(Br)C=C3)CC2)=CC(OC)=C1O
InChIKey
InChIKey=HEGQCOQXYDDAAB-UHFFFAOYSA-P
Formula
C20H27BrN2O3
Mass
423.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Methoxyphenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Methoxyphenols
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyphenols
Alternative Parents
Dimethoxybenzenes Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Alkyl aryl ethers N-alkylpiperazines Aralkylamines Bromobenzenes Aryl bromides Quaternary ammonium salts Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organobromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Piperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Organohalogen compound - Amine - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors
Not available