[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine

C17H23N3O — CID 107663591

IUPAC[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCC(C)c1ccc(Oc2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C17H23N3O/c1-5-11(2)14-6-8-15(9-7-14)21-17-16(10-18)12(3)13(4)19-20-17/h6-9,11H,5,10,18H2,1-4H3
InChIKeyYMSVLPTTZZXHGK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds5

About [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 107663591) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID107663591
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCC(C)c1ccc(Oc2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C17H23N3O/c1-5-11(2)14-6-8-15(9-7-14)21-17-16(10-18)12(3)13(4)19-20-17/h6-9,11H,5,10,18H2,1-4H3
InChIKeyYMSVLPTTZZXHGK-UHFFFAOYSA-N
XLogP3.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096822
3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine
CID 107664592
[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107663593
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[3-(2-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701
[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596

Frequently Asked Questions

What is the IUPAC name of [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 107663591) is [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is CCC(C)c1ccc(Oc2nnc(C)c(C)c2CN)cc1.
What is the InChIKey of [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is YMSVLPTTZZXHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-11(2)14-6-8-15(9-7-14)21-17-16(10-18)12(3)13(4)19-20-17/h6-9,11H,5,10,18H2,1-4H3.
What are the key properties of [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 107663591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).