3-(ethoxymethyl)-2,3-dimethylindole

C13H17NO — CID 20553391

IUPAC3-(ethoxymethyl)-2,3-dimethylindole
SMILESCCOCC1(C)C(C)=Nc2ccccc21
InChIInChI=1S/C13H17NO/c1-4-15-9-13(3)10(2)14-12-8-6-5-7-11(12)13/h5-8H,4,9H2,1-3H3
InChIKeyRZSYTKMIJYAIER-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.09
Rot. Bonds3

About 3-(ethoxymethyl)-2,3-dimethylindole

3-(ethoxymethyl)-2,3-dimethylindole (PubChem CID 20553391) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2,3-dimethylindole.

Molecular Properties

Compound Name3-(ethoxymethyl)-2,3-dimethylindole
PubChem CID20553391
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(ethoxymethyl)-2,3-dimethylindole
SMILESCCOCC1(C)C(C)=Nc2ccccc21
InChIInChI=1S/C13H17NO/c1-4-15-9-13(3)10(2)14-12-8-6-5-7-11(12)13/h5-8H,4,9H2,1-3H3
InChIKeyRZSYTKMIJYAIER-UHFFFAOYSA-N
XLogP3.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2,3-dimethylindole?
The IUPAC name of 3-(ethoxymethyl)-2,3-dimethylindole (CID 20553391) is 3-(ethoxymethyl)-2,3-dimethylindole.
What is the SMILES notation for 3-(ethoxymethyl)-2,3-dimethylindole?
The canonical SMILES for 3-(ethoxymethyl)-2,3-dimethylindole is CCOCC1(C)C(C)=Nc2ccccc21.
What is the InChIKey of 3-(ethoxymethyl)-2,3-dimethylindole?
The InChIKey is RZSYTKMIJYAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-15-9-13(3)10(2)14-12-8-6-5-7-11(12)13/h5-8H,4,9H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)-2,3-dimethylindole?
3-(ethoxymethyl)-2,3-dimethylindole has a molecular weight of 203.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2,3-dimethylindole is sourced from PubChem (CID 20553391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).