DOI   Click here for help

GtoPdb Ligand ID: 147

Synonyms: 4-DOI
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.48
Molecular weight 321.02
XLogP 2.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(I)c(cc1CC(N)C)OC
Isomeric SMILES COc1cc(I)c(cc1CC(N)C)OC
InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChI Key BGMZUEKZENQUJY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Synonyms Click here for help
4-DOI
Database Links Click here for help
ChEBI CHEBI:100436
ChEMBL Ligand CHEMBL6616
GtoPdb PubChem SID 135650202
PubChem CID 1229
Search Google for chemical match using the InChIKey BGMZUEKZENQUJY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BGMZUEKZENQUJY
Search UniChem for chemical match using the InChIKey BGMZUEKZENQUJY-UHFFFAOYSA-N
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Wikipedia 2,5-Dimethoxy-4-iodoamphetamine