[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine

C16H20FN3O — CID 107655134

IUPAC[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2cccc(C)c2F)c(CN)c1CC
InChIInChI=1S/C16H20FN3O/c1-4-11-12(9-18)16(20-19-13(11)5-2)21-14-8-6-7-10(3)15(14)17/h6-8H,4-5,9,18H2,1-3H3
InChIKeyJPJHNWGCVOMNRD-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.30
Rot. Bonds5

About [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine (PubChem CID 107655134) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine
PubChem CID107655134
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(Oc2cccc(C)c2F)c(CN)c1CC
InChIInChI=1S/C16H20FN3O/c1-4-11-12(9-18)16(20-19-13(11)5-2)21-14-8-6-7-10(3)15(14)17/h6-8H,4-5,9,18H2,1-3H3
InChIKeyJPJHNWGCVOMNRD-UHFFFAOYSA-N
XLogP3.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.30
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
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508376
[5,6-diethyl-3-(3-ethylphenoxy)pyridazin-4-yl]methanamine
CID 80508307
[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508325
[5,6-diethyl-3-(4-ethylphenoxy)pyridazin-4-yl]methanamine
CID 80508299
[3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazin-4-yl]methanamine
CID 81341711
[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine
CID 80507981
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol
CID 80507766
[5,6-diethyl-3-(1-ethylpyrazol-4-yl)oxypyridazin-4-yl]methanamine
CID 116800123
[5,6-diethyl-3-(1-propylpyrazol-4-yl)oxypyridazin-4-yl]methanamine
CID 116800159
3-(3-amino-2-methylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80513157

Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine (CID 107655134) is [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine is CCc1nnc(Oc2cccc(C)c2F)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine?
The InChIKey is JPJHNWGCVOMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-11-12(9-18)16(20-19-13(11)5-2)21-14-8-6-7-10(3)15(14)17/h6-8H,4-5,9,18H2,1-3H3.
What are the key properties of [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(2-fluoro-3-methylphenoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 107655134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).