N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine

C15H18FN3O — CID 133489990

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine
SMILESCOc1ccc(F)cc1C(C)Nc1cc(C)c(C)nn1
InChIInChI=1S/C15H18FN3O/c1-9-7-15(19-18-10(9)2)17-11(3)13-8-12(16)5-6-14(13)20-4/h5-8,11H,1-4H3,(H,17,19)
InChIKeyPYGIZRKRLUJYKG-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine (PubChem CID 133489990) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine
PubChem CID133489990
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine
SMILESCOc1ccc(F)cc1C(C)Nc1cc(C)c(C)nn1
InChIInChI=1S/C15H18FN3O/c1-9-7-15(19-18-10(9)2)17-11(3)13-8-12(16)5-6-14(13)20-4/h5-8,11H,1-4H3,(H,17,19)
InChIKeyPYGIZRKRLUJYKG-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102612474
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 64540777
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43728630
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75449989

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine (CID 133489990) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine is COc1ccc(F)cc1C(C)Nc1cc(C)c(C)nn1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine?
The InChIKey is PYGIZRKRLUJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-7-15(19-18-10(9)2)17-11(3)13-8-12(16)5-6-14(13)20-4/h5-8,11H,1-4H3,(H,17,19).
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine has a molecular weight of 275.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 133489990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).