2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine

C16H18N2S — CID 83987665

IUPAC2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine
SMILESCCn1cc(C(CN)c2cccs2)c2ccccc21
InChIInChI=1S/C16H18N2S/c1-2-18-11-14(12-6-3-4-7-15(12)18)13(10-17)16-8-5-9-19-16/h3-9,11,13H,2,10,17H2,1H3
InChIKeyYOFVBIAAQPRJSY-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.81
Rot. Bonds4

About 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine

2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine (PubChem CID 83987665) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine
PubChem CID83987665
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine
SMILESCCn1cc(C(CN)c2cccs2)c2ccccc21
InChIInChI=1S/C16H18N2S/c1-2-18-11-14(12-6-3-4-7-15(12)18)13(10-17)16-8-5-9-19-16/h3-9,11,13H,2,10,17H2,1H3
InChIKeyYOFVBIAAQPRJSY-UHFFFAOYSA-N
XLogP3.81
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine (CID 83987665) is 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine is CCn1cc(C(CN)c2cccs2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine?
The InChIKey is YOFVBIAAQPRJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-18-11-14(12-6-3-4-7-15(12)18)13(10-17)16-8-5-9-19-16/h3-9,11,13H,2,10,17H2,1H3.
What are the key properties of 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine?
2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine has a molecular weight of 270.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 83987665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).