trivial
MBDB
1,3-Benzodioxolyl-'N'-methylbutanamine
N-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANAMINE
systemic
N-Methyl-1-(1,3-BenzoDioxol-5-yl)-2-Butanamine
1-(1,3-Benzodioxol-5-yl)-'N'-methylbutan-2-amine
MBDB
1,3-Benzodioxolyl-'N'-methylbutanamine
N-METHYL-1-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANAMINE
systemic
N-Methyl-1-(1,3-BenzoDioxol-5-yl)-2-Butanamine
1-(1,3-Benzodioxol-5-yl)-'N'-methylbutan-2-amine
Identifiers
InChIKey: USWVWJSAJAEEHQ-UHFFFAOYSA-N
Formula: C12H17NO2
CAS Registry numbers:
135795-90-3
Descriptors
Bioavailability-related
Molecular weight: 207.13 DaPartition coefficient: 1.96
H bond donors: 1
H bond acceptors: 3
Rotatable bonds: 4
Molar refractivity: 59.41 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