2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine

C16H13BrFN3 — CID 107357326

IUPAC2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13BrFN3/c17-11-5-10(6-12(18)8-11)7-13(19)16-9-20-14-3-1-2-4-15(14)21-16/h1-6,8-9,13H,7,19H2
InChIKeyIMXXJCHDMDCPOW-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.77
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine

2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine (PubChem CID 107357326) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
PubChem CID107357326
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1cnc2ccccc2n1
InChIInChI=1S/C16H13BrFN3/c17-11-5-10(6-12(18)8-11)7-13(19)16-9-20-14-3-1-2-4-15(14)21-16/h1-6,8-9,13H,7,19H2
InChIKeyIMXXJCHDMDCPOW-UHFFFAOYSA-N
XLogP3.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-quinoxalin-2-ylethanamine
CID 107356915
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
2-(2-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357047
2-(3-bromo-5-fluorophenyl)-1-isoquinolin-1-ylethanamine
CID 79700024
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
1-quinoxalin-2-yl-2-thiophen-3-ylethanamine
CID 107357052
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-(3-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357548
2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 115533554
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine (CID 107357326) is 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine is NC(Cc1cc(F)cc(Br)c1)c1cnc2ccccc2n1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine?
The InChIKey is IMXXJCHDMDCPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-11-5-10(6-12(18)8-11)7-13(19)16-9-20-14-3-1-2-4-15(14)21-16/h1-6,8-9,13H,7,19H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine?
2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine has a molecular weight of 346.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine is sourced from PubChem (CID 107357326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).