(R)-DOI   Click here for help

GtoPdb Ligand ID: 157

Synonyms: (-)-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(cc1C[C@H](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/t7-/m1/s1
InChI Key BGMZUEKZENQUJY-SSDOTTSWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Synonyms Click here for help
(-)-DOI
Database Links Click here for help
BindingDB Ligand 50133231
ChEBI CHEBI:321517
ChEMBL Ligand CHEMBL134519
GtoPdb PubChem SID 135650418
PubChem CID 9840090
Search Google for chemical match using the InChIKey BGMZUEKZENQUJY-SSDOTTSWSA-N
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Search UniChem for chemical match using the InChIKey BGMZUEKZENQUJY-SSDOTTSWSA-N
Search UniChem for chemicals with the same backbone BGMZUEKZENQUJY