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

C15H21BrN2 — CID 84645258

IUPAC2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c(C)n(C)c2cc(Br)ccc12
InChIInChI=1S/C15H21BrN2/c1-10-14(15(2,3)9-17-4)12-7-6-11(16)8-13(12)18(10)5/h6-8,17H,9H2,1-5H3
InChIKeySHOBUWRMSAIOSU-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.75
Rot. Bonds3

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

2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 84645258) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID84645258
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c(C)n(C)c2cc(Br)ccc12
InChIInChI=1S/C15H21BrN2/c1-10-14(15(2,3)9-17-4)12-7-6-11(16)8-13(12)18(10)5/h6-8,17H,9H2,1-5H3
InChIKeySHOBUWRMSAIOSU-UHFFFAOYSA-N
XLogP3.75
TPSA16.96 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84639810
3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84645259
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84639811
2,7-dibromo-9-methylcarbazole
CID 11851387
2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
CID 84642871
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
1-(6-bromo-1-methyl-2-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 84743930
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutanoic acid
CID 84642675
2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
CID 83488858
2-[6-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 84647002
2-(6-bromo-1,2-dimethylindol-3-yl)-2-hydroxyacetic acid
CID 115073021
2-methyl-2-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 82495217

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine (CID 84645258) is 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1c(C)n(C)c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is SHOBUWRMSAIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-10-14(15(2,3)9-17-4)12-7-6-11(16)8-13(12)18(10)5/h6-8,17H,9H2,1-5H3.
What are the key properties of 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine?
2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 309.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 84645258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).