3-bromo-2-ethyl-1,6-dimethylindole

C12H14BrN — CID 84707620

IUPAC3-bromo-2-ethyl-1,6-dimethylindole
SMILESCCc1c(Br)c2ccc(C)cc2n1C
InChIInChI=1S/C12H14BrN/c1-4-10-12(13)9-6-5-8(2)7-11(9)14(10)3/h5-7H,4H2,1-3H3
InChIKeyBYQZTZVRXDBUDU-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.81
Rot. Bonds1

About 3-bromo-2-ethyl-1,6-dimethylindole

3-bromo-2-ethyl-1,6-dimethylindole (PubChem CID 84707620) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 3-bromo-2-ethyl-1,6-dimethylindole.

Molecular Properties

Compound Name3-bromo-2-ethyl-1,6-dimethylindole
PubChem CID84707620
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name3-bromo-2-ethyl-1,6-dimethylindole
SMILESCCc1c(Br)c2ccc(C)cc2n1C
InChIInChI=1S/C12H14BrN/c1-4-10-12(13)9-6-5-8(2)7-11(9)14(10)3/h5-7H,4H2,1-3H3
InChIKeyBYQZTZVRXDBUDU-UHFFFAOYSA-N
XLogP3.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643740
N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
CID 84643930
9-butyl-2,7-dimethylcarbazole
CID 129212268
9,10-dibromo-2-ethyl-6-methylanthracene
CID 141353803
2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
CID 935993
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
2,3,7,9-tetramethylpyrido[3,4-b]indol-2-ium
CID 160772488
3,5,7-trimethylpyrido[3,2-b]indole
CID 158575400
2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
CID 83488858
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-1,6-dimethylindole?
The IUPAC name of 3-bromo-2-ethyl-1,6-dimethylindole (CID 84707620) is 3-bromo-2-ethyl-1,6-dimethylindole.
What is the SMILES notation for 3-bromo-2-ethyl-1,6-dimethylindole?
The canonical SMILES for 3-bromo-2-ethyl-1,6-dimethylindole is CCc1c(Br)c2ccc(C)cc2n1C.
What is the InChIKey of 3-bromo-2-ethyl-1,6-dimethylindole?
The InChIKey is BYQZTZVRXDBUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-4-10-12(13)9-6-5-8(2)7-11(9)14(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 3-bromo-2-ethyl-1,6-dimethylindole?
3-bromo-2-ethyl-1,6-dimethylindole has a molecular weight of 252.15 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-1,6-dimethylindole is sourced from PubChem (CID 84707620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).