5-bromo-3-butan-2-yl-1H-indole

C12H14BrN — CID 106985240

IUPAC5-bromo-3-butan-2-yl-1H-indole
SMILESCCC(C)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H14BrN/c1-3-8(2)11-7-14-12-5-4-9(13)6-10(11)12/h4-8,14H,3H2,1-2H3
InChIKeyIWJOHNDRIGTTLA-UHFFFAOYSA-N
MW252.15 g/mol
LogP4.44
Rot. Bonds2

About 5-bromo-3-butan-2-yl-1H-indole

5-bromo-3-butan-2-yl-1H-indole (PubChem CID 106985240) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is 5-bromo-3-butan-2-yl-1H-indole.

Molecular Properties

Compound Name5-bromo-3-butan-2-yl-1H-indole
PubChem CID106985240
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name5-bromo-3-butan-2-yl-1H-indole
SMILESCCC(C)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H14BrN/c1-3-8(2)11-7-14-12-5-4-9(13)6-10(11)12/h4-8,14H,3H2,1-2H3
InChIKeyIWJOHNDRIGTTLA-UHFFFAOYSA-N
XLogP4.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 5-bromo-3-butan-2-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
CID 171290931
5-bromo-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171278306
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
N-[1-(5-bromo-1H-indol-3-yl)ethyl]ethanimine oxide
CID 89349105
tert-butyl N-[1-(5-bromo-1H-indol-3-yl)propyl]-N-hydroxycarbamate
CID 121400058
5-bromo-3-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 95431731

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butan-2-yl-1H-indole?
The IUPAC name of 5-bromo-3-butan-2-yl-1H-indole (CID 106985240) is 5-bromo-3-butan-2-yl-1H-indole.
What is the SMILES notation for 5-bromo-3-butan-2-yl-1H-indole?
The canonical SMILES for 5-bromo-3-butan-2-yl-1H-indole is CCC(C)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-butan-2-yl-1H-indole?
The InChIKey is IWJOHNDRIGTTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-3-8(2)11-7-14-12-5-4-9(13)6-10(11)12/h4-8,14H,3H2,1-2H3.
What are the key properties of 5-bromo-3-butan-2-yl-1H-indole?
5-bromo-3-butan-2-yl-1H-indole has a molecular weight of 252.15 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butan-2-yl-1H-indole is sourced from PubChem (CID 106985240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).