1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine

C15H19N3O — CID 105107599

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1cc(C)nnc1C
InChIInChI=1S/C15H19N3O/c1-10-8-13(11(2)18-17-10)14(16)9-12-6-4-5-7-15(12)19-3/h4-8,14H,9,16H2,1-3H3
InChIKeyMILFXBIAPBJOBP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.34
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine

1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 105107599) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
PubChem CID105107599
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)c1cc(C)nnc1C
InChIInChI=1S/C15H19N3O/c1-10-8-13(11(2)18-17-10)14(16)9-12-6-4-5-7-15(12)19-3/h4-8,14H,9,16H2,1-3H3
InChIKeyMILFXBIAPBJOBP-UHFFFAOYSA-N
XLogP2.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402
2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737
1-(4-bromo-2-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 61079999
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
2-(2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105107355
2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105107532

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine (CID 105107599) is 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is MILFXBIAPBJOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-13(11(2)18-17-10)14(16)9-12-6-4-5-7-15(12)19-3/h4-8,14H,9,16H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine?
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 105107599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).