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6-ETHOXY-2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLINE , CAS No.16489-90-0
Basic Description
Synonyms
16489-90-0 | 6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline | 6-Ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline | Quinoline, 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethyl- | 6-ethoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline | 6-Ethoxy-2,3,4-trimethyl-1,2,3,4
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Hydroquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Hydroquinolines
Alternative Parents
Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroquinoline - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Ether - Secondary amine - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
6-ethoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
INCHI
InChI=1S/C14H21NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-8,10,15H,5,9H2,1-4H3
InChIKey
YLDDCEXDGNXCIO-UHFFFAOYSA-N
Smiles
CCOC1=CC2=C(C=C1)NC(CC2C)(C)C
Isomeric SMILES
CCOC1=CC2=C(C=C1)NC(CC2C)(C)C
Molecular Weight
219.33
Reaxy-Rn
159986
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=159986&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
219.320 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
219.162 Da
Monoisotopic Mass
219.162 Da
Topological Polar Surface Area
21.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
239.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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