2,5-Dimethoxy-4-ethylamphetamine
Basic information
- CAS
22004-32-6- Standard SMILES
CCc1cc(OC)c(CC(C)N)cc1OC- InChIKey
HXJKWPGVENNMCC-UHFFFAOYSA-N- Molecular formula
- C13H21NO2
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.15722891
Overview
2,5-Dimethoxy-4-ethylamphetamine is a member of amphetamines.
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-4-ethylamphetamine
- IUPAC
- 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amine
- English name
- 2,5-Dimethoxy-4-ethylamphetamin
- Molecular formula
- C13H21NO2
- Molecular weight
- 223.31
Names & synonyms
2,5-Dimethoxy-4-ethylamphetamineDOET22004-32-64-Ethyl-2,5-dimethoxyamphetamine9SK6K682ULJ71.136EDTXSID00860585Benzeneethanamine, 4-ethyl-2,5-dimethoxy-alpha-methyl-Phenethylamine, 4-ethyl-2,5-dimethoxy-alpha-methyl-RefChem:82893DTXCID801973061B7JP7F83O
Show more names
Dea no. 7399DOET (exempt preparation)2,5-DIMETHOXY-4-ETHYLAMPHETAMIN, >99% (HPLC)4-Ethyl-2,5-diMethoxy-α- MethylphenethylaMine1-(4-Ethyl-2,5-dimethoxyphenyl)-2-propanamine
4-Ethyl-2,5-dimethoxy-alpha-methylphenethylamine hydrochloride4-Ethyl-2,5-dimethoxyamphetamine hydrochlorideBenzeneethanamine, 4-ethyl-2,5-dimethoxy-alpha-methyl-, hydrochloridePhenethylamine, 4-ethyl-2,5-dimethoxy-alpha-methyl-, hydrochloride1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-amineCHEMBL8224HECATE2,5-DIMETHOXY-4-ETHYLAMPHETAMIN
Database identifiers
- CAS
22004-32-6- PubChem CID
- 27402
- DTXSID
DTXSID00860585- ChEMBL
CHEMBL8224- ChEBI
CHEBI:191249- UNII
- 9SK6K682UL
- Nikkaji
- J71.136E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Phenethylamines (D Series) (H)
Physicochemical properties
- Boiling point
- 322.7 · 322.7±37.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- solubility
- 0.5 mg/mlEthanol: · DMF: 0.5 mg/mlEthanol: 0.3 mg/ml
- pka
- 9.77 · 9.77±0.10(Predicted)
- FDA UNII
- 9 SK6K682UL · 9SK6K682UL
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H370
- Precautionary statements
- 210 · P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P310-P321-P330-P303+P361+P353-P304+P340-P307+P311-P312-P361+P364-P370+P378-P403+P233-P403+P235-P405-P501
- DEA Controlled Substances
- 7399 CSA · CSCN: 7399CSA SCH: Schedule INARC: No
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- Hazard statements
- H225-H301+H311+H331-H370
- Precautionary statements
- P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P310-P321-P330-P303+P361+P353-P304+P340-P307+P311-P312-P361+P364-P370+P378-P403+P233-P403+P235-P405-P501
- DEA Controlled Substances
- CSCN: 7399CSA SCH: Schedule INARC: No
Chemistry & industry
Applications
UsesDOET is a potent, long-acting psychoactive drug of the phenethylamine and amphetamine chemical classes that, similar to other substituted amphetamines, likely acts as a serotonin 5-HT2 receptor partia l agonist. This compound is intended only for research and forensic applications.
Additional notes
DefinitionChEBI: 2,5-Dimethoxy-4-ethylamphetamine is a member of amphetamines.
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