Compound Identification
SMILES
[Br-].CN1CC[N+](C)(CCNC2=CC(O)=C(C)C=C2)CC1
InChIKey
InChIKey=MLBCWXVFUIMRNB-UHFFFAOYSA-N
Formula
C15H26BrN3O
Mass
344.297
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Cresols
- Level 5 Ortho cresols
-
Subclass
Cresols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Ortho cresols
Alternative Parents
m-Aminophenols Phenylalkylamines Aminotoluenes Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids N-methylpiperazines Tetraalkylammonium salts Trialkylamines Azacyclic compounds Organopnictogen compounds Organic bromide salts Organic zwitterions Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminophenol - M-aminophenol - O-cresol - Aminotoluene - Aniline or substituted anilines - Phenylalkylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Toluene - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Tetraalkylammonium salt - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic bromide salt - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors
Not available