N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine

C14H14FN3O — CID 62295896

IUPACN-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESFc1ccccc1Oc1ccc(CNC2CC2)nn1
InChIInChI=1S/C14H14FN3O/c15-12-3-1-2-4-13(12)19-14-8-7-11(17-18-14)9-16-10-5-6-10/h1-4,7-8,10,16H,5-6,9H2
InChIKeyPCMSJKYMUYDIKC-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.66
Rot. Bonds5

About N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 62295896) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID62295896
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESFc1ccccc1Oc1ccc(CNC2CC2)nn1
InChIInChI=1S/C14H14FN3O/c15-12-3-1-2-4-13(12)19-14-8-7-11(17-18-14)9-16-10-5-6-10/h1-4,7-8,10,16H,5-6,9H2
InChIKeyPCMSJKYMUYDIKC-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine (CID 62295896) is N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine is Fc1ccccc1Oc1ccc(CNC2CC2)nn1.
What is the InChIKey of N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is PCMSJKYMUYDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-3-1-2-4-13(12)19-14-8-7-11(17-18-14)9-16-10-5-6-10/h1-4,7-8,10,16H,5-6,9H2.
What are the key properties of N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 259.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62295896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).