N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine

C15H18FN3O — CID 63935143

IUPACN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C15H18FN3O/c1-2-9-17-10-13-7-8-15(19-18-13)20-11-12-5-3-4-6-14(12)16/h3-8,17H,2,9-11H2,1H3
InChIKeyQCNFBEWZURFOBB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.69
Rot. Bonds7

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

N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 63935143) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine
PubChem CID63935143
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C15H18FN3O/c1-2-9-17-10-13-7-8-15(19-18-13)20-11-12-5-3-4-6-14(12)16/h3-8,17H,2,9-11H2,1H3
InChIKeyQCNFBEWZURFOBB-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine (CID 63935143) is N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(OCc2ccccc2F)nn1.
What is the InChIKey of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is QCNFBEWZURFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-9-17-10-13-7-8-15(19-18-13)20-11-12-5-3-4-6-14(12)16/h3-8,17H,2,9-11H2,1H3.
What are the key properties of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63935143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).