(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine

C15H18FN3O — CID 105176557

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1cc(F)ccc1OC
InChIInChI=1S/C15H18FN3O/c1-4-13-11(7-9(2)18-19-13)15(17)12-8-10(16)5-6-14(12)20-3/h5-8,15H,4,17H2,1-3H3
InChIKeyZLYHNRFFPCIZBC-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.54
Rot. Bonds4

About (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine

(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 105176557) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID105176557
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1cc(F)ccc1OC
InChIInChI=1S/C15H18FN3O/c1-4-13-11(7-9(2)18-19-13)15(17)12-8-10(16)5-6-14(12)20-3/h5-8,15H,4,17H2,1-3H3
InChIKeyZLYHNRFFPCIZBC-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093671
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176567
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093569
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105096485
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145281
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 105176557) is (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine is CCc1nnc(C)cc1C(N)c1cc(F)ccc1OC.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is ZLYHNRFFPCIZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-13-11(7-9(2)18-19-13)15(17)12-8-10(16)5-6-14(12)20-3/h5-8,15H,4,17H2,1-3H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 275.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 105176557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).