1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine

C15H16BrFN2O — CID 115939916

IUPAC1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(Oc2ccc(F)cc2Br)cn1
InChIInChI=1S/C15H16BrFN2O/c1-3-13(18-2)14-6-5-11(9-19-14)20-15-7-4-10(17)8-12(15)16/h4-9,13,18H,3H2,1-2H3
InChIKeyAKWPLKQLFLRKCP-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.45
Rot. Bonds5

About 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine

1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine (PubChem CID 115939916) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
PubChem CID115939916
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(Oc2ccc(F)cc2Br)cn1
InChIInChI=1S/C15H16BrFN2O/c1-3-13(18-2)14-6-5-11(9-19-14)20-15-7-4-10(17)8-12(15)16/h4-9,13,18H,3H2,1-2H3
InChIKeyAKWPLKQLFLRKCP-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 114673855
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine
CID 112584711
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83127027
N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
CID 112584809
5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
CID 104536313
5-(2-bromo-4-fluorophenoxy)pyridine-2-carbothioamide
CID 113321022

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine (CID 115939916) is 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(Oc2ccc(F)cc2Br)cn1.
What is the InChIKey of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine?
The InChIKey is AKWPLKQLFLRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-13(18-2)14-6-5-11(9-19-14)20-15-7-4-10(17)8-12(15)16/h4-9,13,18H,3H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine?
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine has a molecular weight of 339.21 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115939916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).