trivial
Escaline
systemic
3,5-dimethoxy-4-ethoxyphenethylamine
2-(4-Ethoxy-3,5-dimethoxy-phenyl)-ethylamine
Escaline
systemic
3,5-dimethoxy-4-ethoxyphenethylamine
2-(4-Ethoxy-3,5-dimethoxy-phenyl)-ethylamine
Identifiers
InChIKey: RHOGRSKNWDNCDN-UHFFFAOYSA-N
Formula: C12H19NO3
CAS Registry numbers:
39201-82-6
Descriptors
Bioavailability-related
Molecular weight: 225.14 DaPartition coefficient: 1.60
H bond donors: 2
H bond acceptors: 4
Rotatable bonds: 6
Molar refractivity: 63.47 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