trivial
Butylone
bk-MBDB
BUTYLON
BUTYLONUM
systemic
2-methylamino-1-(3,4-methylenedioxyphenyl)butan-1-one
1-(1,3-benzodioxol-5-yl)-2-(methylamino)butan-1-one

Identifiers

InChIKey: CGKQZIULZRXRRJ-UHFFFAOYSA-N

Formula: C12H15NO3

CAS Registry numbers:
802575-11-7

Descriptors

Bioavailability-related

Molecular weight: 221.11 Da
Partition coefficient: 1.60
H bond donors: 1
H bond acceptors: 4
Rotatable bonds: 4
Molar refractivity: 60.03 J mol-1 K-1
Polar surface area: 47.56 Å2

Generic

Stereocenters: 1
Heteroatoms: 4
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0

Ring-related

Rings: 2
Heterocycles: 1
Aromatic rings: 1
Aromatic carbocycles: 1
Aromatic heterocycles: 0
Aliphatic rings: 1
Aliphatic carbocycles: 0
Aliphatic heterocycles: 1