3,4-Methylenedioxy-N-ethylamphetamine

Synonyms: MDEA, "3,4-Methylenedioxy-N-ethylamphetamine", "N-Ethyl-mda", "Eve (amphetamine)", "Methylenedioxyethamphetamine", "3,4-Methylenedioxyethylamphetamine", "N-MDE", "N-Ethyl-3,4-methylenedioxyamphetamine", "3,4-Methylenedioxyethamphetamine", "methylenedioxyethylamphetamine", "N-Ethyl MDA", "MDE (+-)", "(+/-)-3,4-Methylenedioxyethylamphetamine", "1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine"

Source: 3,4-methylenedioxy-N-ethylamphetamine, is a psychedelic hallucinogenic drug.

Identifiers:

IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
CAS Number: 82801-81-8
PubChem ID: 105039
InChiKey: PVXVWWANJIWJOO-UHFFFAOYSA-N
Canonical SMILES: CCNC(C)CC1=CC2=C(C=C1)OCO2

Structural Properties:

Molecular Formula: C₁₂H₁₇NO₂
Molecular Weight: 207,270

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 15

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Riva, F., Castiglioni, S., Fattore, E., Manenti, A., Davoli, E., & Zuccato, E. (2018). Monitoring emerging contaminants in the drinking water of Milan and assessment of the human risk. International journal of hygiene and environmental health, 221(3), 451-457.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure