[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine

C15H17BrFN3O — CID 80508325

IUPAC[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2ccc(Br)cc2F)c(CN)c1CC
InChIInChI=1S/C15H17BrFN3O/c1-3-10-11(8-18)15(20-19-13(10)4-2)21-14-6-5-9(16)7-12(14)17/h5-7H,3-4,8,18H2,1-2H3
InChIKeyJCALLXCYIIKOSX-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.75
Rot. Bonds5

About [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine

[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine (PubChem CID 80508325) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
PubChem CID80508325
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2ccc(Br)cc2F)c(CN)c1CC
InChIInChI=1S/C15H17BrFN3O/c1-3-10-11(8-18)15(20-19-13(10)4-2)21-14-6-5-9(16)7-12(14)17/h5-7H,3-4,8,18H2,1-2H3
InChIKeyJCALLXCYIIKOSX-UHFFFAOYSA-N
XLogP3.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-bromo-4-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508317
[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine
CID 107655134
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759
[5,6-diethyl-3-(3-ethylphenoxy)pyridazin-4-yl]methanamine
CID 80508307
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine
CID 81341711
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine
CID 80507981
3-(4-bromo-2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924911
[2-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610
6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988091

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine (CID 80508325) is [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine is CCc1nnc(Oc2ccc(Br)cc2F)c(CN)c1CC.
What is the InChIKey of [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
The InChIKey is JCALLXCYIIKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-3-10-11(8-18)15(20-19-13(10)4-2)21-14-6-5-9(16)7-12(14)17/h5-7H,3-4,8,18H2,1-2H3.
What are the key properties of [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine?
[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine has a molecular weight of 354.22 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 80508325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).