Molecular Identity
MDMA
1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
PubChem CID: 1615
3,4-methylenedioxymethamphetamine is a member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5. It has a role as a neurotoxin. It is a member of amphetamines and a member of benzodioxoles.
2D Structure
Properties
C11H15NO2
Molecular Formula
193.24
Molecular Weight
g/mol
193.1103
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
30.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
186
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
MDMAEcstasy3,4-methylenedioxymethamphetamineMidomafetamine42542-10-9MethylenedioxymethamphetamineDL-(3,4-Methylenedioxy)methamphetamineN-METHYL-3,4-METHYLENEDIOXYAMPHETAMINE(RS)-3,4-(methylenedioxy)methamphetamineN,alpha-Dimethyl-1,3-benzodioxole-5-ethanamine1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-aminemidomafetaminaKE1SEN21RMMethylenedioxymetamphetamineMethylenedioxymethamfetamine
Data from PubChem (NCBI)
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Drug Network
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