trivial
AL
allylescaline
systemic
4-allyloxy-3,5-dimethoxy-phenethylamine
AL
allylescaline
systemic
4-allyloxy-3,5-dimethoxy-phenethylamine
Identifiers
InChIKey: JNUAYHHGCXYBHX-UHFFFAOYSA-N
Formula: C13H19NO3
CAS Registry numbers:
39201-75-7
Descriptors
Bioavailability-related
Molecular weight: 237.14 DaPartition coefficient: 1.77
H bond donors: 2
H bond acceptors: 4
Rotatable bonds: 7
Molar refractivity: 68.00 J mol-1 K-1
Polar surface area: 53.71 Å2
Generic
Stereocenters: 0Heteroatoms: 4
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 1Heterocycles: 0
Aromatic rings: 1
Aromatic carbocycles: 1
Aromatic heterocycles: 0
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0