2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine

C13H14ClN3O — CID 82303495

IUPAC2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
SMILESCOc1ccc(-c2ccc(CCN)nn2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-18-13-5-2-9(8-11(13)14)12-4-3-10(6-7-15)16-17-12/h2-5,8H,6-7,15H2,1H3
InChIKeySWBYDHOHMRUGBH-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.31
Rot. Bonds4

About 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine

2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine (PubChem CID 82303495) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
PubChem CID82303495
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
SMILESCOc1ccc(-c2ccc(CCN)nn2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-18-13-5-2-9(8-11(13)14)12-4-3-10(6-7-15)16-17-12/h2-5,8H,6-7,15H2,1H3
InChIKeySWBYDHOHMRUGBH-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
2-[6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-yl]ethanamine
CID 82300077
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
[6-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-yl]methanamine
CID 116857617
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
2-[6-(4-ethylphenyl)pyridazin-3-yl]ethanamine
CID 82288033
3-(3,4-dichlorophenyl)-6-methoxypyridazine
CID 12833133
2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine?
The IUPAC name of 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine (CID 82303495) is 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine?
The canonical SMILES for 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine is COc1ccc(-c2ccc(CCN)nn2)cc1Cl.
What is the InChIKey of 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine?
The InChIKey is SWBYDHOHMRUGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-13-5-2-9(8-11(13)14)12-4-3-10(6-7-15)16-17-12/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine?
2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine has a molecular weight of 263.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine is sourced from PubChem (CID 82303495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).