1-(2,2-diethoxyethyl)-6-methylindole

C15H21NO2 — CID 55249362

IUPAC1-(2,2-diethoxyethyl)-6-methylindole
SMILESCCOC(Cn1ccc2ccc(C)cc21)OCC
InChIInChI=1S/C15H21NO2/c1-4-17-15(18-5-2)11-16-9-8-13-7-6-12(3)10-14(13)16/h6-10,15H,4-5,11H2,1-3H3
InChIKeyJEKMBNXIBDDOSV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.35
Rot. Bonds6

About 1-(2,2-diethoxyethyl)-6-methylindole

1-(2,2-diethoxyethyl)-6-methylindole (PubChem CID 55249362) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-6-methylindole.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-6-methylindole
PubChem CID55249362
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2,2-diethoxyethyl)-6-methylindole
SMILESCCOC(Cn1ccc2ccc(C)cc21)OCC
InChIInChI=1S/C15H21NO2/c1-4-17-15(18-5-2)11-16-9-8-13-7-6-12(3)10-14(13)16/h6-10,15H,4-5,11H2,1-3H3
InChIKeyJEKMBNXIBDDOSV-UHFFFAOYSA-N
XLogP3.35
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine
CID 63070295
ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
CID 82777232
1-bromo-3-(6-methylindol-1-yl)propan-2-ol
CID 130577128
1-(3-ethoxypropyl)-6-methylindole
CID 116546661
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
1-(2-bromoethyl)-6-methylindole
CID 130577129
1-decyl-6-methylindole
CID 116546893
3-(6-methylindol-1-yl)-N-propylpropan-1-amine
CID 62562354
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-6-methylindole?
The IUPAC name of 1-(2,2-diethoxyethyl)-6-methylindole (CID 55249362) is 1-(2,2-diethoxyethyl)-6-methylindole.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-6-methylindole?
The canonical SMILES for 1-(2,2-diethoxyethyl)-6-methylindole is CCOC(Cn1ccc2ccc(C)cc21)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-6-methylindole?
The InChIKey is JEKMBNXIBDDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-17-15(18-5-2)11-16-9-8-13-7-6-12(3)10-14(13)16/h6-10,15H,4-5,11H2,1-3H3.
What are the key properties of 1-(2,2-diethoxyethyl)-6-methylindole?
1-(2,2-diethoxyethyl)-6-methylindole has a molecular weight of 247.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-6-methylindole is sourced from PubChem (CID 55249362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).