trivial
25C-NBOH
systemic
2-[[2-(4-chloro-2,5-dimethoxy-phenyl)ethylamino]methyl]phenol
2-({[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]amino}methyl)phenol
25C-NBOH
systemic
2-[[2-(4-chloro-2,5-dimethoxy-phenyl)ethylamino]methyl]phenol
2-({[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]amino}methyl)phenol
Identifiers
InChIKey: VHWXICYYQMMZCW-UHFFFAOYSA-N
Formula: C17H20ClNO3
CAS Registry numbers:
1391488-16-6
Descriptors
Bioavailability-related
Molecular weight: 321.11 DaPartition coefficient: 3.40
H bond donors: 2
H bond acceptors: 4
Rotatable bonds: 7
Molar refractivity: 88.07 J mol-1 K-1
Polar surface area: 50.72 Å2
Generic
Stereocenters: 0Heteroatoms: 5
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 2Heterocycles: 0
Aromatic rings: 2
Aromatic carbocycles: 2
Aromatic heterocycles: 0
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0