3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine

C14H16FN3O — CID 69106556

IUPAC3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine
SMILESNCCCc1ccc(OCc2ccc(F)cc2)nn1
InChIInChI=1S/C14H16FN3O/c15-12-5-3-11(4-6-12)10-19-14-8-7-13(17-18-14)2-1-9-16/h3-8H,1-2,9-10,16H2
InChIKeyORHJYDNTOGZGAL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.09
Rot. Bonds6

About 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine

3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine (PubChem CID 69106556) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine
PubChem CID69106556
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine
SMILESNCCCc1ccc(OCc2ccc(F)cc2)nn1
InChIInChI=1S/C14H16FN3O/c15-12-5-3-11(4-6-12)10-19-14-8-7-13(17-18-14)2-1-9-16/h3-8H,1-2,9-10,16H2
InChIKeyORHJYDNTOGZGAL-UHFFFAOYSA-N
XLogP2.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine?
The IUPAC name of 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine (CID 69106556) is 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine?
The canonical SMILES for 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine is NCCCc1ccc(OCc2ccc(F)cc2)nn1.
What is the InChIKey of 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine?
The InChIKey is ORHJYDNTOGZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-5-3-11(4-6-12)10-19-14-8-7-13(17-18-14)2-1-9-16/h3-8H,1-2,9-10,16H2.
What are the key properties of 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine?
3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine has a molecular weight of 261.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine is sourced from PubChem (CID 69106556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).