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

C16H20FN3O — CID 63936968

IUPACN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C16H20FN3O/c1-12(2)9-18-10-14-7-8-16(20-19-14)21-11-13-5-3-4-6-15(13)17/h3-8,12,18H,9-11H2,1-2H3
InChIKeyGCSBVRPLVUXYQI-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.94
Rot. Bonds7

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

N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63936968) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63936968
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCc2ccccc2F)nn1
InChIInChI=1S/C16H20FN3O/c1-12(2)9-18-10-14-7-8-16(20-19-14)21-11-13-5-3-4-6-15(13)17/h3-8,12,18H,9-11H2,1-2H3
InChIKeyGCSBVRPLVUXYQI-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.94
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]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine (CID 63936968) is N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(OCc2ccccc2F)nn1.
What is the InChIKey of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GCSBVRPLVUXYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12(2)9-18-10-14-7-8-16(20-19-14)21-11-13-5-3-4-6-15(13)17/h3-8,12,18H,9-11H2,1-2H3.
What are the key properties of N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.94, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 63936968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).