6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole

C12H16BrNO — CID 58221860

IUPAC6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole
SMILESCOCCC1(C)CNc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO/c1-12(5-6-15-2)8-14-11-7-9(13)3-4-10(11)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyJPTYVVNXEQTLBC-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.17
Rot. Bonds3

About 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole

6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole (PubChem CID 58221860) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole.

Molecular Properties

Compound Name6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole
PubChem CID58221860
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole
SMILESCOCCC1(C)CNc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO/c1-12(5-6-15-2)8-14-11-7-9(13)3-4-10(11)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyJPTYVVNXEQTLBC-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole?
The IUPAC name of 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole (CID 58221860) is 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole.
What is the SMILES notation for 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole?
The canonical SMILES for 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole is COCCC1(C)CNc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole?
The InChIKey is JPTYVVNXEQTLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(5-6-15-2)8-14-11-7-9(13)3-4-10(11)12/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole?
6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole has a molecular weight of 270.17 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methoxyethyl)-3-methyl-1,2-dihydroindole is sourced from PubChem (CID 58221860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).