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

C16H21N3O2 — CID 107663637

IUPAC[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCc1ccc(Oc2nnc(C)c(C)c2CN)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-5-12-6-7-14(15(8-12)20-4)21-16-13(9-17)10(2)11(3)18-19-16/h6-8H,5,9,17H2,1-4H3
InChIKeyUTERINIRDAPWQC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.92
Rot. Bonds5

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

[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 107663637) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID107663637
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCc1ccc(Oc2nnc(C)c(C)c2CN)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-5-12-6-7-14(15(8-12)20-4)21-16-13(9-17)10(2)11(3)18-19-16/h6-8H,5,9,17H2,1-4H3
InChIKeyUTERINIRDAPWQC-UHFFFAOYSA-N
XLogP2.92
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridin-3-amine
CID 107663831
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
2-(4-ethyl-2-methoxyphenoxy)-5-methylpyridin-3-amine
CID 107663853
[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
CID 107668249
[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096822
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 107668753
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 107663637) is [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is CCc1ccc(Oc2nnc(C)c(C)c2CN)c(OC)c1.
What is the InChIKey of [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is UTERINIRDAPWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-12-6-7-14(15(8-12)20-4)21-16-13(9-17)10(2)11(3)18-19-16/h6-8H,5,9,17H2,1-4H3.
What are the key properties of [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 107663637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).