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

C16H18BrFN2O — CID 114673855

IUPAC1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Oc2cc(Br)ccc2F)cn1
InChIInChI=1S/C16H18BrFN2O/c1-3-14(19-4-2)15-8-6-12(10-20-15)21-16-9-11(17)5-7-13(16)18/h5-10,14,19H,3-4H2,1-2H3
InChIKeyGBVBCOFVPBJJSA-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.84
Rot. Bonds6

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

1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine (PubChem CID 114673855) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
PubChem CID114673855
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Oc2cc(Br)ccc2F)cn1
InChIInChI=1S/C16H18BrFN2O/c1-3-14(19-4-2)15-8-6-12(10-20-15)21-16-9-11(17)5-7-13(16)18/h5-10,14,19H,3-4H2,1-2H3
InChIKeyGBVBCOFVPBJJSA-UHFFFAOYSA-N
XLogP4.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940035
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939916
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 107284909
(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 114674259

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine (CID 114673855) is 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(Oc2cc(Br)ccc2F)cn1.
What is the InChIKey of 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
The InChIKey is GBVBCOFVPBJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-3-14(19-4-2)15-8-6-12(10-20-15)21-16-9-11(17)5-7-13(16)18/h5-10,14,19H,3-4H2,1-2H3.
What are the key properties of 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine has a molecular weight of 353.24 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 114673855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).