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

C15H17BrFN3O — CID 83233037

IUPACN-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccc(F)c(Br)c2)nn1
InChIInChI=1S/C15H17BrFN3O/c1-15(2,3)18-9-10-4-7-14(20-19-10)21-11-5-6-13(17)12(16)8-11/h4-8,18H,9H2,1-3H3
InChIKeyGMKBYWXDIJCNGC-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.06
Rot. Bonds4

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

N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 83233037) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID83233037
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC NameN-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccc(F)c(Br)c2)nn1
InChIInChI=1S/C15H17BrFN3O/c1-15(2,3)18-9-10-4-7-14(20-19-10)21-11-5-6-13(17)12(16)8-11/h4-8,18H,9H2,1-3H3
InChIKeyGMKBYWXDIJCNGC-UHFFFAOYSA-N
XLogP4.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]ethanamine
CID 55058223
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]ethanamine
CID 55058306
N-[[6-(4-fluorophenoxy)pyridazin-3-yl]methyl]ethanamine
CID 55058603
N-[[6-(2,3-difluorophenoxy)pyridazin-3-yl]methyl]ethanamine
CID 55144576
3-(2-Bromo-4-fluorophenoxy)-6-methylpyridazine
CID 61311757
N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
CID 62287900
1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine
CID 62295720
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62295894
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62295895
N-[[6-(2-fluorophenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62295896
1-[6-(4-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine
CID 62295938
N-[[6-(2-chloro-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 62295978

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (CID 83233037) is N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Oc2ccc(F)c(Br)c2)nn1.
What is the InChIKey of N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GMKBYWXDIJCNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-15(2,3)18-9-10-4-7-14(20-19-10)21-11-5-6-13(17)12(16)8-11/h4-8,18H,9H2,1-3H3.
What are the key properties of N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 354.22 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83233037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).