1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine

C15H19N3O — CID 95465136

IUPAC1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2ccc(CNC)nn2)cc1C
InChIInChI=1S/C15H19N3O/c1-4-19-15-8-5-12(9-11(15)2)14-7-6-13(10-16-3)17-18-14/h5-9,16H,4,10H2,1-3H3
InChIKeyZSDJPZNOMLKJDC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds5

About 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine

1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 95465136) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
PubChem CID95465136
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2ccc(CNC)nn2)cc1C
InChIInChI=1S/C15H19N3O/c1-4-19-15-8-5-12(9-11(15)2)14-7-6-13(10-16-3)17-18-14/h5-9,16H,4,10H2,1-3H3
InChIKeyZSDJPZNOMLKJDC-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 82288036
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
1-[6-(2,4-dimethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95475627
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248
5-(6-ethoxypyridazin-3-yl)-2-methylaniline
CID 52903889
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde
CID 116894400
6-[4-ethoxy-3-(2-methylpropoxy)phenyl]pyridazin-3-amine
CID 19385475
2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864423
2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine (CID 95465136) is 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine is CCOc1ccc(-c2ccc(CNC)nn2)cc1C.
What is the InChIKey of 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is ZSDJPZNOMLKJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-19-15-8-5-12(9-11(15)2)14-7-6-13(10-16-3)17-18-14/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 95465136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).