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Identification
Name 2,5-Dimethoxy-4-ethylamphetamine
Accession Number DB01467
Type small molecule
Groups illicit, experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 22004-32-6
Weight Average: 223.3113
Monoisotopic: 223.157228921
Chemical Formula C13H21NO2
InChI Key InChIKey=HXJKWPGVENNMCC-UHFFFAOYSA-N
InChI
InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-9H,5-6,14H2,1-4H3
Plain Text
IUPAC Name
1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine
SMILES
CCC1=CC(OC)=C(CC(C)N)C=C1OC
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism
Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
logP 2.81 HANSCH,C ET AL. (1995)
Predicted Properties
Property Value Source
water solubility 4.13e-01 g/l ALOGPS
logP 2.71 ALOGPS
logP 2.45 ChemAxon
logS -2.7 ALOGPS
pKa (strongest basic) 9.93 ChemAxon
physiological charge 1 ChemAxon
hydrogen acceptor count 3 ChemAxon
hydrogen donor count 1 ChemAxon
polar surface area 44.48 ChemAxon
rotatable bond count 5 ChemAxon
refractivity 66.27 ChemAxon
polarizability 26.07 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 27402 Link_out
PubChem Substance 46504746 Link_out
ChemSpider 25499 Link_out
BindingDB 50005245 Link_out
Wikipedia http://en.wikipedia.org/wiki/2,5-Dimethoxy-4-ethylamphetamine Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries Not Available
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Comments
Drug created on July 31, 2007 07:09 / Updated on February 08, 2013 16:20