2-(ethoxymethyl)-1-ethylindole

C13H17NO — CID 117173973

IUPAC2-(ethoxymethyl)-1-ethylindole
SMILESCCOCc1cc2ccccc2n1CC
InChIInChI=1S/C13H17NO/c1-3-14-12(10-15-4-2)9-11-7-5-6-8-13(11)14/h5-9H,3-4,10H2,1-2H3
InChIKeyYXDKBWNDMVVCOK-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.20
Rot. Bonds4

About 2-(ethoxymethyl)-1-ethylindole

2-(ethoxymethyl)-1-ethylindole (PubChem CID 117173973) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-ethylindole.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-ethylindole
PubChem CID117173973
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(ethoxymethyl)-1-ethylindole
SMILESCCOCc1cc2ccccc2n1CC
InChIInChI=1S/C13H17NO/c1-3-14-12(10-15-4-2)9-11-7-5-6-8-13(11)14/h5-9H,3-4,10H2,1-2H3
InChIKeyYXDKBWNDMVVCOK-UHFFFAOYSA-N
XLogP3.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-ethylindole?
The IUPAC name of 2-(ethoxymethyl)-1-ethylindole (CID 117173973) is 2-(ethoxymethyl)-1-ethylindole.
What is the SMILES notation for 2-(ethoxymethyl)-1-ethylindole?
The canonical SMILES for 2-(ethoxymethyl)-1-ethylindole is CCOCc1cc2ccccc2n1CC.
What is the InChIKey of 2-(ethoxymethyl)-1-ethylindole?
The InChIKey is YXDKBWNDMVVCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14-12(10-15-4-2)9-11-7-5-6-8-13(11)14/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-ethylindole?
2-(ethoxymethyl)-1-ethylindole has a molecular weight of 203.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-ethylindole is sourced from PubChem (CID 117173973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).