5-bromo-3-(3-methylbutan-2-yl)-1H-indole

C13H16BrN — CID 106985167

IUPAC5-bromo-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H16BrN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3
InChIKeyVGJNSGURYRGBOQ-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.69
Rot. Bonds2

About 5-bromo-3-(3-methylbutan-2-yl)-1H-indole

5-bromo-3-(3-methylbutan-2-yl)-1H-indole (PubChem CID 106985167) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 5-bromo-3-(3-methylbutan-2-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(3-methylbutan-2-yl)-1H-indole
PubChem CID106985167
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name5-bromo-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H16BrN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3
InChIKeyVGJNSGURYRGBOQ-UHFFFAOYSA-N
XLogP4.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
N-[1-(5-bromo-1H-indol-3-yl)ethyl]ethanimine oxide
CID 89349105
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methylbutan-2-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(3-methylbutan-2-yl)-1H-indole (CID 106985167) is 5-bromo-3-(3-methylbutan-2-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(3-methylbutan-2-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(3-methylbutan-2-yl)-1H-indole is CC(C)C(C)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(3-methylbutan-2-yl)-1H-indole?
The InChIKey is VGJNSGURYRGBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3.
What are the key properties of 5-bromo-3-(3-methylbutan-2-yl)-1H-indole?
5-bromo-3-(3-methylbutan-2-yl)-1H-indole has a molecular weight of 266.18 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methylbutan-2-yl)-1H-indole is sourced from PubChem (CID 106985167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).