2-(2-ethoxyethyl)-1-ethylindole

C14H19NO — CID 46738621

IUPAC2-(2-ethoxyethyl)-1-ethylindole
SMILESCCOCCc1cc2ccccc2n1CC
InChIInChI=1S/C14H19NO/c1-3-15-13(9-10-16-4-2)11-12-7-5-6-8-14(12)15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyGFPAPYRWIOFCPT-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-ethoxyethyl)-1-ethylindole

2-(2-ethoxyethyl)-1-ethylindole (PubChem CID 46738621) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1-ethylindole.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1-ethylindole
PubChem CID46738621
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2-ethoxyethyl)-1-ethylindole
SMILESCCOCCc1cc2ccccc2n1CC
InChIInChI=1S/C14H19NO/c1-3-15-13(9-10-16-4-2)11-12-7-5-6-8-14(12)15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyGFPAPYRWIOFCPT-UHFFFAOYSA-N
XLogP3.24
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-1-ethylindole?
The IUPAC name of 2-(2-ethoxyethyl)-1-ethylindole (CID 46738621) is 2-(2-ethoxyethyl)-1-ethylindole.
What is the SMILES notation for 2-(2-ethoxyethyl)-1-ethylindole?
The canonical SMILES for 2-(2-ethoxyethyl)-1-ethylindole is CCOCCc1cc2ccccc2n1CC.
What is the InChIKey of 2-(2-ethoxyethyl)-1-ethylindole?
The InChIKey is GFPAPYRWIOFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15-13(9-10-16-4-2)11-12-7-5-6-8-14(12)15/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(2-ethoxyethyl)-1-ethylindole?
2-(2-ethoxyethyl)-1-ethylindole has a molecular weight of 217.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1-ethylindole is sourced from PubChem (CID 46738621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).