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

C15H18FN3O — CID 63936967

IUPACN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C15H18FN3O/c1-11(2)17-9-13-7-8-15(19-18-13)20-10-12-5-3-4-6-14(12)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyDQKRSSRDSFUYTN-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.69
Rot. Bonds6

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

N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 63936967) 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-2-amine.

Molecular Properties

Compound NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
PubChem CID63936967
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C15H18FN3O/c1-11(2)17-9-13-7-8-15(19-18-13)20-10-12-5-3-4-6-14(12)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyDQKRSSRDSFUYTN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine (CID 63936967) is N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2ccccc2F)nn1.
What is the InChIKey of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is DQKRSSRDSFUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11(2)17-9-13-7-8-15(19-18-13)20-10-12-5-3-4-6-14(12)16/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 275.33 g/mol, XLogP of 2.69, 6 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-2-amine is sourced from PubChem (CID 63936967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).