N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine

C15H18FN3O — CID 107660862

IUPACN-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cccc(C)c2F)nn1
InChIInChI=1S/C15H18FN3O/c1-3-9-17-10-12-7-8-14(19-18-12)20-13-6-4-5-11(2)15(13)16/h4-8,17H,3,9-10H2,1-2H3
InChIKeyCLVHFNALHRHWGD-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.22
Rot. Bonds6

About N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 107660862) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID107660862
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2cccc(C)c2F)nn1
InChIInChI=1S/C15H18FN3O/c1-3-9-17-10-12-7-8-14(19-18-12)20-13-6-4-5-11(2)15(13)16/h4-8,17H,3,9-10H2,1-2H3
InChIKeyCLVHFNALHRHWGD-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660920
N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297084
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
CID 103175510
N-[[5-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382115
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62296582
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107659563
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226
N-[1-[6-(2-fluoro-3-methylphenoxy)-3-pyridinyl]ethyl]propan-1-amine
CID 107658828

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine (CID 107660862) is N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(Oc2cccc(C)c2F)nn1.
What is the InChIKey of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is CLVHFNALHRHWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-9-17-10-12-7-8-14(19-18-12)20-13-6-4-5-11(2)15(13)16/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107660862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).