N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine

C16H17BrF2N2 — CID 79707449

IUPACN-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Br)c1ccc(F)cn1
InChIInChI=1S/C16H17BrF2N2/c1-2-7-20-16(15-6-5-13(19)10-21-15)8-11-3-4-12(18)9-14(11)17/h3-6,9-10,16,20H,2,7-8H2,1H3
InChIKeyYZLURWQKZVANGL-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine

N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 79707449) has the molecular formula C16H17BrF2N2 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
PubChem CID79707449
Molecular FormulaC16H17BrF2N2
Molecular Weight355.23 g/mol
Exact Mass354.05
IUPAC NameN-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Br)c1ccc(F)cn1
InChIInChI=1S/C16H17BrF2N2/c1-2-7-20-16(15-6-5-13(19)10-21-15)8-11-3-4-12(18)9-14(11)17/h3-6,9-10,16,20H,2,7-8H2,1H3
InChIKeyYZLURWQKZVANGL-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
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1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105117344
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62600046
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
1-(2-bromo-4-fluorophenyl)-N-propylheptan-2-amine
CID 115843240
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine (CID 79707449) is N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1Br)c1ccc(F)cn1.
What is the InChIKey of N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is YZLURWQKZVANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF2N2/c1-2-7-20-16(15-6-5-13(19)10-21-15)8-11-3-4-12(18)9-14(11)17/h3-6,9-10,16,20H,2,7-8H2,1H3.
What are the key properties of N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 355.23 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 79707449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).