2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine

C16H14BrN3 — CID 107356915

IUPAC2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H14BrN3/c17-12-7-5-11(6-8-12)9-13(18)16-10-19-14-3-1-2-4-15(14)20-16/h1-8,10,13H,9,18H2
InChIKeyQKWWYYILNVETIY-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine

2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine (PubChem CID 107356915) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine
PubChem CID107356915
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine
SMILESNC(Cc1ccc(Br)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H14BrN3/c17-12-7-5-11(6-8-12)9-13(18)16-10-19-14-3-1-2-4-15(14)20-16/h1-8,10,13H,9,18H2
InChIKeyQKWWYYILNVETIY-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357326
1-quinoxalin-2-yl-2-thiophen-3-ylethanamine
CID 107357052
2-(2-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357047
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722736
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
1-quinoxalin-2-ylhexan-1-amine
CID 107357026
2-(1-ethylimidazol-2-yl)-1-quinoxalin-2-ylethanamine
CID 107357294
2-(3-bromo-4-fluorophenyl)-1-quinolin-2-ylethanamine
CID 63222850
2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
CID 60924752
N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine (CID 107356915) is 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine is NC(Cc1ccc(Br)cc1)c1cnc2ccccc2n1.
What is the InChIKey of 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine?
The InChIKey is QKWWYYILNVETIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-12-7-5-11(6-8-12)9-13(18)16-10-19-14-3-1-2-4-15(14)20-16/h1-8,10,13H,9,18H2.
What are the key properties of 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine?
2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine has a molecular weight of 328.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine is sourced from PubChem (CID 107356915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).