6-bromo-1-methyl-3-propan-2-ylindole

C12H14BrN — CID 115046928

IUPAC6-bromo-1-methyl-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2cc(Br)ccc12
InChIInChI=1S/C12H14BrN/c1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12/h4-8H,1-3H3
InChIKeyGFWDHGQLYOYROH-UHFFFAOYSA-N
MW252.16 g/mol
LogP4.06
Rot. Bonds1

About 6-bromo-1-methyl-3-propan-2-ylindole

6-bromo-1-methyl-3-propan-2-ylindole (PubChem CID 115046928) has the molecular formula C12H14BrN and a molecular weight of 252.16 g/mol. Its IUPAC name is 6-bromo-1-methyl-3-propan-2-ylindole.

Molecular Properties

Compound Name6-bromo-1-methyl-3-propan-2-ylindole
PubChem CID115046928
Molecular FormulaC12H14BrN
Molecular Weight252.16 g/mol
Exact Mass251.03
IUPAC Name6-bromo-1-methyl-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2cc(Br)ccc12
InChIInChI=1S/C12H14BrN/c1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12/h4-8H,1-3H3
InChIKeyGFWDHGQLYOYROH-UHFFFAOYSA-N
XLogP4.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine
CID 82278947
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
6-bromo-3-ethyl-1-methylindole
CID 115042453
6-bromo-3-(1,1-difluoroethyl)-1-methylindole
CID 84713699
1-methyl-3-propan-2-ylindole
CID 10942942
2,7-dibromo-9-methylcarbazole
CID 11851387
7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807892
1-(5-bromo-1-methylindol-3-yl)propan-1-amine
CID 82278922
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
4-[(6-bromo-3-propan-2-ylindol-1-yl)methyl]benzoic acid
CID 171714095
6-bromo-1-methyl-3-(1-methylpiperidin-4-yl)indole
CID 58512228

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3-propan-2-ylindole?
The IUPAC name of 6-bromo-1-methyl-3-propan-2-ylindole (CID 115046928) is 6-bromo-1-methyl-3-propan-2-ylindole.
What is the SMILES notation for 6-bromo-1-methyl-3-propan-2-ylindole?
The canonical SMILES for 6-bromo-1-methyl-3-propan-2-ylindole is CC(C)c1cn(C)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-methyl-3-propan-2-ylindole?
The InChIKey is GFWDHGQLYOYROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12/h4-8H,1-3H3.
What are the key properties of 6-bromo-1-methyl-3-propan-2-ylindole?
6-bromo-1-methyl-3-propan-2-ylindole has a molecular weight of 252.16 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3-propan-2-ylindole is sourced from PubChem (CID 115046928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).