1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide

C12H15Br3N2 — CID 3071150

IUPAC1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide
SMILESBr.CN(C)Cc1c(Br)n(C)c2cc(Br)ccc12
InChIInChI=1S/C12H14Br2N2.BrH/c1-15(2)7-10-9-5-4-8(13)6-11(9)16(3)12(10)14;/h4-6H,7H2,1-3H3;1H
InChIKeyOVIRAFHSGAEUST-UHFFFAOYSA-N
MW426.98 g/mol
LogP4.34
Rot. Bonds2

About 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide

1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide (PubChem CID 3071150) has the molecular formula C12H15Br3N2 and a molecular weight of 426.98 g/mol. Its IUPAC name is 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide.

Molecular Properties

Compound Name1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide
PubChem CID3071150
Molecular FormulaC12H15Br3N2
Molecular Weight426.98 g/mol
Exact Mass423.88
IUPAC Name1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide
SMILESBr.CN(C)Cc1c(Br)n(C)c2cc(Br)ccc12
InChIInChI=1S/C12H14Br2N2.BrH/c1-15(2)7-10-9-5-4-8(13)6-11(9)16(3)12(10)14;/h4-6H,7H2,1-3H3;1H
InChIKeyOVIRAFHSGAEUST-UHFFFAOYSA-N
XLogP4.34
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.98
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide?
The IUPAC name of 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide (CID 3071150) is 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide.
What is the SMILES notation for 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide?
The canonical SMILES for 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide is Br.CN(C)Cc1c(Br)n(C)c2cc(Br)ccc12.
What is the InChIKey of 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide?
The InChIKey is OVIRAFHSGAEUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2.BrH/c1-15(2)7-10-9-5-4-8(13)6-11(9)16(3)12(10)14;/h4-6H,7H2,1-3H3;1H.
What are the key properties of 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide?
1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide has a molecular weight of 426.98 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine;hydrobromide is sourced from PubChem (CID 3071150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).