N-1-isopropyl-5-MeOT   Click here for help

GtoPdb Ligand ID: 158

Synonyms: N-1-isopropyl-5-methoxytryptamine
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 40.18
Molecular weight 232.16
XLogP 2.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1cn(c2c1cc(OC)cc2)C(C)C
Isomeric SMILES NCCc1cn(c2c1cc(OC)cc2)C(C)C
InChI InChI=1S/C14H20N2O/c1-10(2)16-9-11(6-7-15)13-8-12(17-3)4-5-14(13)16/h4-5,8-10H,6-7,15H2,1-3H3
InChI Key WFNIDMQOBQYSBC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]ethan-1-amine
Synonyms Click here for help
N-1-isopropyl-5-methoxytryptamine
Database Links Click here for help
GtoPdb PubChem SID 135650392
PubChem CID 24820144
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