5-MeOT   

GtoPdb Ligand ID: 107

Synonyms: 5-methoxytryptamine | 5-MT | mexamine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 51.04
Molecular weight 190.11
XLogP 1.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCc1c[nH]c2c1cc(OC)cc2
Isomeric SMILES NCCc1c[nH]c2c1cc(OC)cc2
InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChI Key JTEJPPKMYBDEMY-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(5-methoxy-1H-indol-3-yl)ethanamine
Synonyms
5-methoxytryptamine | 5-MT | mexamine
Database Links
BindingDB Ligand 50014213
CAS Registry No. 608-07-1
ChEBI CHEBI:2089
ChEMBL Ligand CHEMBL8165
GtoPdb PubChem SID 135649837
PubChem CID 1833
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Wikipedia 5-Methoxytryptamine