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

C17H23N3O — CID 61097824

IUPAC[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCC(C)c1ccccc1Oc1nnc(C)c(C)c1CN
InChIInChI=1S/C17H23N3O/c1-5-11(2)14-8-6-7-9-16(14)21-17-15(10-18)12(3)13(4)19-20-17/h6-9,11H,5,10,18H2,1-4H3
InChIKeyJPXCAKWVFDAXKT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds5

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

[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 61097824) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID61097824
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCC(C)c1ccccc1Oc1nnc(C)c(C)c1CN
InChIInChI=1S/C17H23N3O/c1-5-11(2)14-8-6-7-9-16(14)21-17-15(10-18)12(3)13(4)19-20-17/h6-9,11H,5,10,18H2,1-4H3
InChIKeyJPXCAKWVFDAXKT-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-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
CID 61095824
[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine
CID 63458562
6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80881297
[6-(2-butan-2-ylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476743
[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 82004811
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 114408523
[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]methanamine
CID 114889865
(2-butan-2-yl-6-methylphenyl)methanamine;ethane
CID 143860612
(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
CID 61097427

Frequently Asked Questions

What is the IUPAC name of [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 61097824) is [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is CCC(C)c1ccccc1Oc1nnc(C)c(C)c1CN.
What is the InChIKey of [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is JPXCAKWVFDAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-11(2)14-8-6-7-9-16(14)21-17-15(10-18)12(3)13(4)19-20-17/h6-9,11H,5,10,18H2,1-4H3.
What are the key properties of [3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(2-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-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 61097824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).