3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine

C15H21BrN2 — CID 84645259

IUPAC3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
SMILESCc1c(C(C)(C)CCN)c2ccc(Br)cc2n1C
InChIInChI=1S/C15H21BrN2/c1-10-14(15(2,3)7-8-17)12-6-5-11(16)9-13(12)18(10)4/h5-6,9H,7-8,17H2,1-4H3
InChIKeyLETYHNRJAFDVSL-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.88
Rot. Bonds3

About 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine

3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine (PubChem CID 84645259) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
PubChem CID84645259
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
SMILESCc1c(C(C)(C)CCN)c2ccc(Br)cc2n1C
InChIInChI=1S/C15H21BrN2/c1-10-14(15(2,3)7-8-17)12-6-5-11(16)9-13(12)18(10)4/h5-6,9H,7-8,17H2,1-4H3
InChIKeyLETYHNRJAFDVSL-UHFFFAOYSA-N
XLogP3.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84639811
2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84645258
2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84639810
2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
CID 83488858
2,7-dibromo-9-methylcarbazole
CID 11851387
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutanoic acid
CID 84642675
2-methyl-2-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 82495217
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
6-bromo-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 84644816
2-[6-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 84647002

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine (CID 84645259) is 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine is Cc1c(C(C)(C)CCN)c2ccc(Br)cc2n1C.
What is the InChIKey of 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
The InChIKey is LETYHNRJAFDVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-10-14(15(2,3)7-8-17)12-6-5-11(16)9-13(12)18(10)4/h5-6,9H,7-8,17H2,1-4H3.
What are the key properties of 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine?
3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine has a molecular weight of 309.25 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 84645259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).