1-(2-methoxyethyl)-5-methylindole

C12H15NO — CID 116622979

IUPAC1-(2-methoxyethyl)-5-methylindole
SMILESCOCCn1ccc2cc(C)ccc21
InChIInChI=1S/C12H15NO/c1-10-3-4-12-11(9-10)5-6-13(12)7-8-14-2/h3-6,9H,7-8H2,1-2H3
InChIKeyDJNAJQOJCRRJLY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.60
Rot. Bonds3

About 1-(2-methoxyethyl)-5-methylindole

1-(2-methoxyethyl)-5-methylindole (PubChem CID 116622979) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methylindole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methylindole
PubChem CID116622979
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2-methoxyethyl)-5-methylindole
SMILESCOCCn1ccc2cc(C)ccc21
InChIInChI=1S/C12H15NO/c1-10-3-4-12-11(9-10)5-6-13(12)7-8-14-2/h3-6,9H,7-8H2,1-2H3
InChIKeyDJNAJQOJCRRJLY-UHFFFAOYSA-N
XLogP2.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxyethyl)-5-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methylindole?
The IUPAC name of 1-(2-methoxyethyl)-5-methylindole (CID 116622979) is 1-(2-methoxyethyl)-5-methylindole.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methylindole?
The canonical SMILES for 1-(2-methoxyethyl)-5-methylindole is COCCn1ccc2cc(C)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-methylindole?
The InChIKey is DJNAJQOJCRRJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-3-4-12-11(9-10)5-6-13(12)7-8-14-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-methylindole?
1-(2-methoxyethyl)-5-methylindole has a molecular weight of 189.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methylindole is sourced from PubChem (CID 116622979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).