1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole

C16H18N2O — CID 134597105

IUPAC1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
SMILESCCN1CCc2ccc(OCc3ccncc3)cc21
InChIInChI=1S/C16H18N2O/c1-2-18-10-7-14-3-4-15(11-16(14)18)19-12-13-5-8-17-9-6-13/h3-6,8-9,11H,2,7,10,12H2,1H3
InChIKeyIDTVWGQVJQLTNR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.04
Rot. Bonds4

About 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole

1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole (PubChem CID 134597105) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
PubChem CID134597105
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
SMILESCCN1CCc2ccc(OCc3ccncc3)cc21
InChIInChI=1S/C16H18N2O/c1-2-18-10-7-14-3-4-15(11-16(14)18)19-12-13-5-8-17-9-6-13/h3-6,8-9,11H,2,7,10,12H2,1H3
InChIKeyIDTVWGQVJQLTNR-UHFFFAOYSA-N
XLogP3.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
The IUPAC name of 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole (CID 134597105) is 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole is CCN1CCc2ccc(OCc3ccncc3)cc21.
What is the InChIKey of 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
The InChIKey is IDTVWGQVJQLTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-18-10-7-14-3-4-15(11-16(14)18)19-12-13-5-8-17-9-6-13/h3-6,8-9,11H,2,7,10,12H2,1H3.
What are the key properties of 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole has a molecular weight of 254.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole is sourced from PubChem (CID 134597105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).