[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine

C17H23N3O — CID 61096822

IUPAC[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(Oc2ccc(C(C)(C)C)cc2)c(CN)c1C
InChIInChI=1S/C17H23N3O/c1-11-12(2)19-20-16(15(11)10-18)21-14-8-6-13(7-9-14)17(3,4)5/h6-9H,10,18H2,1-5H3
InChIKeyXSXGCFSNPXTFAB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds3

About [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 61096822) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID61096822
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(Oc2ccc(C(C)(C)C)cc2)c(CN)c1C
InChIInChI=1S/C17H23N3O/c1-11-12(2)19-20-16(15(11)10-18)21-14-8-6-13(7-9-14)17(3,4)5/h6-9H,10,18H2,1-5H3
InChIKeyXSXGCFSNPXTFAB-UHFFFAOYSA-N
XLogP3.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
CID 61097627
[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
[3-(2-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
[3-[(4-methoxyphenyl)methoxy]-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096426
2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
CID 61095824
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663637

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 61096822) is [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is Cc1nnc(Oc2ccc(C(C)(C)C)cc2)c(CN)c1C.
What is the InChIKey of [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is XSXGCFSNPXTFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-12(2)19-20-16(15(11)10-18)21-14-8-6-13(7-9-14)17(3,4)5/h6-9H,10,18H2,1-5H3.
What are the key properties of [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 61096822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).