2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol

C16H18N2OS — CID 19078388

IUPAC2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol
SMILESCN(C)CC(O)c1c[nH]c2ccc(-c3ccsc3)cc12
InChIInChI=1S/C16H18N2OS/c1-18(2)9-16(19)14-8-17-15-4-3-11(7-13(14)15)12-5-6-20-10-12/h3-8,10,16-17,19H,9H2,1-2H3
InChIKeyKCVGSLBGQVNWFY-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.49
Rot. Bonds4

About 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol

2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol (PubChem CID 19078388) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol
PubChem CID19078388
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol
SMILESCN(C)CC(O)c1c[nH]c2ccc(-c3ccsc3)cc12
InChIInChI=1S/C16H18N2OS/c1-18(2)9-16(19)14-8-17-15-4-3-11(7-13(14)15)12-5-6-20-10-12/h3-8,10,16-17,19H,9H2,1-2H3
InChIKeyKCVGSLBGQVNWFY-UHFFFAOYSA-N
XLogP3.49
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol (CID 19078388) is 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol is CN(C)CC(O)c1c[nH]c2ccc(-c3ccsc3)cc12.
What is the InChIKey of 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol?
The InChIKey is KCVGSLBGQVNWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-18(2)9-16(19)14-8-17-15-4-3-11(7-13(14)15)12-5-6-20-10-12/h3-8,10,16-17,19H,9H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol?
2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol has a molecular weight of 286.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 19078388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).