1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine

C16H18BrFN2O — CID 104794282

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccc(Br)cn1
InChIInChI=1S/C16H18BrFN2O/c1-3-19-14(13-8-7-12(17)10-20-13)9-11-5-4-6-15(21-2)16(11)18/h4-8,10,14,19H,3,9H2,1-2H3
InChIKeyVGVHZQJRSLAOCK-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.89
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine

1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 104794282) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
PubChem CID104794282
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccc(Br)cn1
InChIInChI=1S/C16H18BrFN2O/c1-3-19-14(13-8-7-12(17)10-20-13)9-11-5-4-6-15(21-2)16(11)18/h4-8,10,14,19H,3,9H2,1-2H3
InChIKeyVGVHZQJRSLAOCK-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736768
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine
CID 113398350
2-(2-fluoro-3-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 104793222
5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine
CID 150756751
1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 104794131

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine (CID 104794282) is 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine is CCNC(Cc1cccc(OC)c1F)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is VGVHZQJRSLAOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-3-19-14(13-8-7-12(17)10-20-13)9-11-5-4-6-15(21-2)16(11)18/h4-8,10,14,19H,3,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine?
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 353.24 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 104794282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).