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

C15H19N3O — CID 61096824

IUPAC[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1ccc(C)c(Oc2nnc(C)c(C)c2CN)c1
InChIInChI=1S/C15H19N3O/c1-9-5-6-10(2)14(7-9)19-15-13(8-16)11(3)12(4)17-18-15/h5-7H,8,16H2,1-4H3
InChIKeyOYGMHGYAAFRIBH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.96
Rot. Bonds3

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

[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 61096824) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID61096824
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1ccc(C)c(Oc2nnc(C)c(C)c2CN)c1
InChIInChI=1S/C15H19N3O/c1-9-5-6-10(2)14(7-9)19-15-13(8-16)11(3)12(4)17-18-15/h5-7H,8,16H2,1-4H3
InChIKeyOYGMHGYAAFRIBH-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
[3-(2-ethoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096422
(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
CID 61097627
[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096822
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508376

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 61096824) is [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is Cc1ccc(C)c(Oc2nnc(C)c(C)c2CN)c1.
What is the InChIKey of [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is OYGMHGYAAFRIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-6-10(2)14(7-9)19-15-13(8-16)11(3)12(4)17-18-15/h5-7H,8,16H2,1-4H3.
What are the key properties of [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 61096824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).