N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

C15H17ClFN3O — CID 62295978

IUPACN-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccc(F)cc2Cl)nn1
InChIInChI=1S/C15H17ClFN3O/c1-15(2,3)18-9-11-5-7-14(20-19-11)21-13-6-4-10(17)8-12(13)16/h4-8,18H,9H2,1-3H3
InChIKeyJJAFUHQZLRNTGC-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.95
Rot. Bonds4

About N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62295978) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62295978
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC NameN-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccc(F)cc2Cl)nn1
InChIInChI=1S/C15H17ClFN3O/c1-15(2,3)18-9-11-5-7-14(20-19-11)21-13-6-4-10(17)8-12(13)16/h4-8,18H,9H2,1-3H3
InChIKeyJJAFUHQZLRNTGC-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (CID 62295978) is N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Oc2ccc(F)cc2Cl)nn1.
What is the InChIKey of N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JJAFUHQZLRNTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-15(2,3)18-9-11-5-7-14(20-19-11)21-13-6-4-10(17)8-12(13)16/h4-8,18H,9H2,1-3H3.
What are the key properties of N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.77 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62295978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).