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

C12H14Br2N2 — CID 3071151

IUPAC1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(Br)n(C)c2cc(Br)ccc12
InChIInChI=1S/C12H14Br2N2/c1-15(2)7-10-9-5-4-8(13)6-11(9)16(3)12(10)14/h4-6H,7H2,1-3H3
InChIKeyHRWHRJJNBIIBKB-UHFFFAOYSA-N
MW346.07 g/mol
LogP3.76
Rot. Bonds2

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

1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine (PubChem CID 3071151) has the molecular formula C12H14Br2N2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine
PubChem CID3071151
Molecular FormulaC12H14Br2N2
Molecular Weight346.07 g/mol
Exact Mass343.95
IUPAC Name1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(Br)n(C)c2cc(Br)ccc12
InChIInChI=1S/C12H14Br2N2/c1-15(2)7-10-9-5-4-8(13)6-11(9)16(3)12(10)14/h4-6H,7H2,1-3H3
InChIKeyHRWHRJJNBIIBKB-UHFFFAOYSA-N
XLogP3.76
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 53.76
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?
The IUPAC name of 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine (CID 3071151) is 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine is 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?
The InChIKey is HRWHRJJNBIIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2/c1-15(2)7-10-9-5-4-8(13)6-11(9)16(3)12(10)14/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine?
1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 346.07 g/mol, XLogP of 3.76, 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 is sourced from PubChem (CID 3071151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).