1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine

C16H13BrFN3 — CID 106645604

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
SMILESCNC(c1ccc2nccnc2c1)c1cccc(Br)c1F
InChIInChI=1S/C16H13BrFN3/c1-19-16(11-3-2-4-12(17)15(11)18)10-5-6-13-14(9-10)21-8-7-20-13/h2-9,16,19H,1H3
InChIKeyVGSDTCHURYJZOW-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine

1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine (PubChem CID 106645604) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
PubChem CID106645604
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
SMILESCNC(c1ccc2nccnc2c1)c1cccc(Br)c1F
InChIInChI=1S/C16H13BrFN3/c1-19-16(11-3-2-4-12(17)15(11)18)10-5-6-13-14(9-10)21-8-7-20-13/h2-9,16,19H,1H3
InChIKeyVGSDTCHURYJZOW-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
[(3-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 106648882
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 62850785
1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 107953458
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 106646006
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
CID 106645889
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine (CID 106645604) is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine is CNC(c1ccc2nccnc2c1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine?
The InChIKey is VGSDTCHURYJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-19-16(11-3-2-4-12(17)15(11)18)10-5-6-13-14(9-10)21-8-7-20-13/h2-9,16,19H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine?
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine has a molecular weight of 346.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine is sourced from PubChem (CID 106645604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).