trivial
2CBCB-NBOMe
systemic
'N'-[(3-bromo-2,5-dimethoxy-bicyclo[4,2,0]octa-1,3,5-trien-7-yl)methyl]-1-(2-methoxyphenyl)methanamine
2CBCB-NBOMe
systemic
'N'-[(3-bromo-2,5-dimethoxy-bicyclo[4,2,0]octa-1,3,5-trien-7-yl)methyl]-1-(2-methoxyphenyl)methanamine
Identifiers
InChIKey: CLSBQRBXTFTLEX-ZDUSSCGKSA-N
Formula: C19H22BrNO3
CAS Registry numbers:
1354634-09-5
Descriptors
Bioavailability-related
Molecular weight: 391.08 DaPartition coefficient: 3.90
H bond donors: 1
H bond acceptors: 4
Rotatable bonds: 7
Molar refractivity: 98.39 J mol-1 K-1
Polar surface area: 39.72 Å2
Generic
Stereocenters: 1Heteroatoms: 5
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 3Heterocycles: 0
Aromatic rings: 2
Aromatic carbocycles: 2
Aromatic heterocycles: 0
Aliphatic rings: 1
Aliphatic carbocycles: 1
Aliphatic heterocycles: 0