1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine

C12H11BrFN3O — CID 107381689

IUPAC1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(F)cc2Br)cn1
InChIInChI=1S/C12H11BrFN3O/c1-15-5-9-6-17-12(7-16-9)18-11-3-2-8(14)4-10(11)13/h2-4,6-7,15H,5H2,1H3
InChIKeyCATZVAAIACOSGW-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.89
Rot. Bonds4

About 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine

1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 107381689) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
PubChem CID107381689
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(F)cc2Br)cn1
InChIInChI=1S/C12H11BrFN3O/c1-15-5-9-6-17-12(7-16-9)18-11-3-2-8(14)4-10(11)13/h2-4,6-7,15H,5H2,1H3
InChIKeyCATZVAAIACOSGW-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382214
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058401
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
N-methyl-1-(5-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 107381908
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784
2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
CID 107373728
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928025
2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
CID 24507910
(E)-3-[6-(2-bromo-4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632966
N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297084
N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107382420

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine (CID 107381689) is 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine is CNCc1cnc(Oc2ccc(F)cc2Br)cn1.
What is the InChIKey of 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is CATZVAAIACOSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-15-5-9-6-17-12(7-16-9)18-11-3-2-8(14)4-10(11)13/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine?
1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 312.14 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107381689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).