N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine

C15H18FN3O — CID 107170628

IUPACN-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(C)c(F)c2)nn1
InChIInChI=1S/C15H18FN3O/c1-3-8-17-10-12-5-7-15(19-18-12)20-13-6-4-11(2)14(16)9-13/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyXDNSWRKDQMIYCL-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.22
Rot. Bonds6

About N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 107170628) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID107170628
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(C)c(F)c2)nn1
InChIInChI=1S/C15H18FN3O/c1-3-8-17-10-12-5-7-15(19-18-12)20-13-6-4-11(2)14(16)9-13/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyXDNSWRKDQMIYCL-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-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62322422
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297084
N-[[6-(1-ethylpyrazol-4-yl)oxypyridazin-3-yl]methyl]propan-1-amine
CID 116802800
N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 107169889
N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169870
N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
CID 103175510
N-[[2-chloro-6-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169925
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine (CID 107170628) is N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccc(C)c(F)c2)nn1.
What is the InChIKey of N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is XDNSWRKDQMIYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-8-17-10-12-5-7-15(19-18-12)20-13-6-4-11(2)14(16)9-13/h4-7,9,17H,3,8,10H2,1-2H3.
What are the key properties of N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(3-fluoro-4-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-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107170628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).