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

C14H15BrFN3 — CID 105181176

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1cncc(F)c1
InChIInChI=1S/C14H15BrFN3/c1-2-19-14(11-5-13(16)9-18-7-11)4-10-3-12(15)8-17-6-10/h3,5-9,14,19H,2,4H2,1H3
InChIKeyXAPVIULBKLZBRW-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.27
Rot. Bonds5

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

2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 105181176) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID105181176
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1cncc(F)c1
InChIInChI=1S/C14H15BrFN3/c1-2-19-14(11-5-13(16)9-18-7-11)4-10-3-12(15)8-17-6-10/h3,5-9,14,19H,2,4H2,1H3
InChIKeyXAPVIULBKLZBRW-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 62596666
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181704
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
2-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105152391
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine (CID 105181176) is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is CCNC(Cc1cncc(Br)c1)c1cncc(F)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is XAPVIULBKLZBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-2-19-14(11-5-13(16)9-18-7-11)4-10-3-12(15)8-17-6-10/h3,5-9,14,19H,2,4H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine?
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 324.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 105181176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).