trivial
Pentylone
systemic
2-Methylamino-1-(3,4-methylenedioxyphenyl)pentan-1-one
(±)-1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one
Pentylone
systemic
2-Methylamino-1-(3,4-methylenedioxyphenyl)pentan-1-one
(±)-1-(1,3-benzodioxol-5-yl)-2-(methylamino)pentan-1-one
Identifiers
InChIKey: DFMLULIEUUXXSA-UHFFFAOYSA-N
Formula: C13H17NO3
CAS Registry numbers:
698963-77-8
Descriptors
Bioavailability-related
Molecular weight: 235.12 DaPartition coefficient: 1.99
H bond donors: 1
H bond acceptors: 4
Rotatable bonds: 5
Molar refractivity: 64.65 J mol-1 K-1
Polar surface area: 47.56 Å2
Generic
Stereocenters: 1Heteroatoms: 4
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 2Heterocycles: 1
Aromatic rings: 1
Aromatic carbocycles: 1
Aromatic heterocycles: 0
Aliphatic rings: 1
Aliphatic carbocycles: 0
Aliphatic heterocycles: 1