6-bromo-1-(3-methylbutyl)indole

C13H16BrN — CID 116621828

IUPAC6-bromo-1-(3-methylbutyl)indole
SMILESCC(C)CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C13H16BrN/c1-10(2)5-7-15-8-6-11-3-4-12(14)9-13(11)15/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyGBALJXYEJKNZNI-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.45
Rot. Bonds3

About 6-bromo-1-(3-methylbutyl)indole

6-bromo-1-(3-methylbutyl)indole (PubChem CID 116621828) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 6-bromo-1-(3-methylbutyl)indole.

Molecular Properties

Compound Name6-bromo-1-(3-methylbutyl)indole
PubChem CID116621828
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name6-bromo-1-(3-methylbutyl)indole
SMILESCC(C)CCn1ccc2ccc(Br)cc21
InChIInChI=1S/C13H16BrN/c1-10(2)5-7-15-8-6-11-3-4-12(14)9-13(11)15/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyGBALJXYEJKNZNI-UHFFFAOYSA-N
XLogP4.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-1-(2-fluoroethyl)indole
CID 116622037
6-bromo-1-[11-methyl-10,10-di(propan-2-yl)dodecyl]indole
CID 151276834
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937
(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
CID 57060481
1-(3-methylbutyl)-6-nitroindole
CID 116621059
4-(6-bromoindol-1-yl)butan-1-amine
CID 62566051
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
6-bromo-1-but-3-enylindole
CID 116622027
6-bromo-1-(3-methylsulfonylpropyl)indole
CID 116621947
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62564897
1-(3,6-dimethylheptyl)indole
CID 57308424

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-methylbutyl)indole?
The IUPAC name of 6-bromo-1-(3-methylbutyl)indole (CID 116621828) is 6-bromo-1-(3-methylbutyl)indole.
What is the SMILES notation for 6-bromo-1-(3-methylbutyl)indole?
The canonical SMILES for 6-bromo-1-(3-methylbutyl)indole is CC(C)CCn1ccc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(3-methylbutyl)indole?
The InChIKey is GBALJXYEJKNZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-10(2)5-7-15-8-6-11-3-4-12(14)9-13(11)15/h3-4,6,8-10H,5,7H2,1-2H3.
What are the key properties of 6-bromo-1-(3-methylbutyl)indole?
6-bromo-1-(3-methylbutyl)indole has a molecular weight of 266.18 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-methylbutyl)indole is sourced from PubChem (CID 116621828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).