trivial
1,3-Benzodioxolyl-N-ethylbutanamine
systemic
1-(1,3-Benzodioxol-5-yl)-'N'-ethylbutan-2-amine
1,3-Benzodioxolyl-N-ethylbutanamine
systemic
1-(1,3-Benzodioxol-5-yl)-'N'-ethylbutan-2-amine
Identifiers
InChIKey: IYZPKSQJPVUWRO-UHFFFAOYSA-N
Formula: C13H19NO2
CAS Registry numbers:
167394-39-0
Descriptors
Bioavailability-related
Molecular weight: 221.14 DaPartition coefficient: 2.35
H bond donors: 1
H bond acceptors: 3
Rotatable bonds: 5
Molar refractivity: 64.02 J mol-1 K-1
Polar surface area: 30.49 Å2
Generic
Stereocenters: 1Heteroatoms: 3
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