3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol

C17H24N2O — CID 169286708

IUPAC3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol
SMILESCCC1CN(CCc2c[nH]c3cccc(O)c23)C1CC
InChIInChI=1S/C17H24N2O/c1-3-12-11-19(15(12)4-2)9-8-13-10-18-14-6-5-7-16(20)17(13)14/h5-7,10,12,15,18,20H,3-4,8-9,11H2,1-2H3
InChIKeyRALMTIZKXJKFPS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.54
Rot. Bonds5

About 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol

3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol (PubChem CID 169286708) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol
PubChem CID169286708
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol
SMILESCCC1CN(CCc2c[nH]c3cccc(O)c23)C1CC
InChIInChI=1S/C17H24N2O/c1-3-12-11-19(15(12)4-2)9-8-13-10-18-14-6-5-7-16(20)17(13)14/h5-7,10,12,15,18,20H,3-4,8-9,11H2,1-2H3
InChIKeyRALMTIZKXJKFPS-UHFFFAOYSA-N
XLogP3.54
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-yl] dihydrogen phosphate
CID 169286698
3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
CID 166629733
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol
CID 169286743
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171079991
2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol
CID 75971095
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium
CID 170723032
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol (CID 169286708) is 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol is CCC1CN(CCc2c[nH]c3cccc(O)c23)C1CC.
What is the InChIKey of 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol?
The InChIKey is RALMTIZKXJKFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-12-11-19(15(12)4-2)9-8-13-10-18-14-6-5-7-16(20)17(13)14/h5-7,10,12,15,18,20H,3-4,8-9,11H2,1-2H3.
What are the key properties of 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol?
3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol has a molecular weight of 272.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol is sourced from PubChem (CID 169286708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).