2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine

C11H16BrN3 — CID 117031082

IUPAC2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
SMILESCNCCN1CCNc2cc(Br)ccc21
InChIInChI=1S/C11H16BrN3/c1-13-4-6-15-7-5-14-10-8-9(12)2-3-11(10)15/h2-3,8,13-14H,4-7H2,1H3
InChIKeyJWGFMJJGLDUONE-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.90
Rot. Bonds3

About 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine

2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine (PubChem CID 117031082) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
PubChem CID117031082
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
SMILESCNCCN1CCNc2cc(Br)ccc21
InChIInChI=1S/C11H16BrN3/c1-13-4-6-15-7-5-14-10-8-9(12)2-3-11(10)15/h2-3,8,13-14H,4-7H2,1H3
InChIKeyJWGFMJJGLDUONE-UHFFFAOYSA-N
XLogP1.90
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
CID 117006917
7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline
CID 117031142
4-[2-(methylamino)ethyl]-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030644
7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 117031103
6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
CID 83515806
2-(6-bromo-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)-N-methylethanamine
CID 84645757
1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82380827
7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006931
3-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
CID 117031105
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156
7-bromo-1-propyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82247303
1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one
CID 28572437

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine (CID 117031082) is 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine is CNCCN1CCNc2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine?
The InChIKey is JWGFMJJGLDUONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-13-4-6-15-7-5-14-10-8-9(12)2-3-11(10)15/h2-3,8,13-14H,4-7H2,1H3.
What are the key properties of 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine?
2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine has a molecular weight of 270.17 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine is sourced from PubChem (CID 117031082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).