5-MeO-DMT   Click here for help

GtoPdb Ligand ID: 145

Synonyms: 5-methoxydimethyltryptamine | MeODMT
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 28.26
Molecular weight 218.14
XLogP 1.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c(CCN(C)C)c[nH]2
Isomeric SMILES COc1ccc2c(c1)c(CCN(C)C)c[nH]2
InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChI Key ZSTKHSQDNIGFLM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Synonyms Click here for help
5-methoxydimethyltryptamine | MeODMT
Database Links Click here for help
BindingDB Ligand 30707
CAS Registry No. 1019-45-0
ChEBI CHEBI:2086
ChEMBL Ligand CHEMBL7257
GtoPdb PubChem SID 135649836
PubChem CID 1832
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Wikipedia 5-MeO-DMT