3,4-Methylenedioxy-n-propylcathinone
1-(1,3-benzodioxol-5-yl)-2-(propylamino)propan-1-one
Molecular Identity
3,4-Methylenedioxy-n-propylcathinone
1-(1,3-benzodioxol-5-yl)-2-(propylamino)propan-1-one
PubChem CID: 85764579
2D Structure
Properties
C13H17NO3
Molecular Formula
235.28
Molecular Weight
g/mol
235.1208
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
47.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
269
Complexity
SMILES
Canonical SMILES
SMILES: CCCNC(C)C(=O)C1=CC2=C(C=C1)OCO2Isomeric SMILES
SMILES: CCCNC(C)C(=O)C1=CC2=C(C=C1)OCO2Synonyms(14)
propyloneProneBK-3,4-mdpaTBJ4S8YF373,4-Methylenedioxy-n-propylcathinonePropyl-3,4-methylenedioxycathinone201474-93-3(2S)-1-(1,3-Benzodioxol-5-yl)-2-(propylamino)-1-propanone1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(propylamino)-, (2S)-1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(propylamino)-, (S)-RefChem:91259UNII-TBJ4S8YF37DTXSID901342656PD044741
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3,4-Methylenedioxy-n-propylcathinone
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