trivial
25I-NB34MD
systemic
2-(4-iodo-2,5-dimethoxyphenyl)-N-[(3,4-methylenedioxyphenyl)methyl]ethanamine
'N'-[(2'H'-1,3-Benzodioxol-5-yl)methyl]-2-(4-iodo-2,5-dimethoxyphenyl)ethan-1-amine

Identifiers

InChIKey: FWEBGKDUEZRMRQ-UHFFFAOYSA-N

Formula: C18H20INO4

CAS Registry numbers:
1391497-81-6

Descriptors

Bioavailability-related

Molecular weight: 441.04 Da
Partition coefficient: 3.37
H bond donors: 1
H bond acceptors: 5
Rotatable bonds: 7
Molar refractivity: 100.24 J mol-1 K-1
Polar surface area: 48.95 Å2

Generic

Stereocenters: 0
Heteroatoms: 6
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0

Ring-related

Rings: 3
Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 2
Aromatic heterocycles: 0
Aliphatic rings: 1
Aliphatic carbocycles: 0
Aliphatic heterocycles: 1