2-bromo-6-ethyl-1-methylindole

C11H12BrN — CID 84700583

IUPAC2-bromo-6-ethyl-1-methylindole
SMILESCCc1ccc2cc(Br)n(C)c2c1
InChIInChI=1S/C11H12BrN/c1-3-8-4-5-9-7-11(12)13(2)10(9)6-8/h4-7H,3H2,1-2H3
InChIKeyORWVQOCAZJWRBX-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.50
Rot. Bonds1

About 2-bromo-6-ethyl-1-methylindole

2-bromo-6-ethyl-1-methylindole (PubChem CID 84700583) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 2-bromo-6-ethyl-1-methylindole.

Molecular Properties

Compound Name2-bromo-6-ethyl-1-methylindole
PubChem CID84700583
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name2-bromo-6-ethyl-1-methylindole
SMILESCCc1ccc2cc(Br)n(C)c2c1
InChIInChI=1S/C11H12BrN/c1-3-8-4-5-9-7-11(12)13(2)10(9)6-8/h4-7H,3H2,1-2H3
InChIKeyORWVQOCAZJWRBX-UHFFFAOYSA-N
XLogP3.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethyl-1-methylindole
CID 118283612
methyl 2-bromo-1-methylindole-6-carboxylate
CID 131471893
6,18-diethyl-3,15-dimethyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938443
6-ethyl-1-methylbenzimidazol-2-amine
CID 84618336
2-ethyl-9-methylcarbazole
CID 71038255
6-ethyl-1-methylindazol-3-amine
CID 67124935
6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine
CID 118656020
5-ethyl-1-methyl-2-(trifluoromethyl)indole
CID 84625236
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
ethane;2-ethylnaphthalene
CID 90684887
1-(difluoromethyl)-6-ethylindazole
CID 146208795
N-[6-(aminomethyl)-1-methylindol-2-yl]sulfanylbutan-1-amine
CID 143244178

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-1-methylindole?
The IUPAC name of 2-bromo-6-ethyl-1-methylindole (CID 84700583) is 2-bromo-6-ethyl-1-methylindole.
What is the SMILES notation for 2-bromo-6-ethyl-1-methylindole?
The canonical SMILES for 2-bromo-6-ethyl-1-methylindole is CCc1ccc2cc(Br)n(C)c2c1.
What is the InChIKey of 2-bromo-6-ethyl-1-methylindole?
The InChIKey is ORWVQOCAZJWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-3-8-4-5-9-7-11(12)13(2)10(9)6-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-6-ethyl-1-methylindole?
2-bromo-6-ethyl-1-methylindole has a molecular weight of 238.13 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-1-methylindole is sourced from PubChem (CID 84700583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).