3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

C14H14BrFN2 — CID 112582851

IUPAC3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1cccc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C14H14BrFN2/c1-2-13(14-7-6-11(16)9-17-14)18-12-5-3-4-10(15)8-12/h3-9,13,18H,2H2,1H3
InChIKeyXGGKKOZXUBQSPL-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.55
Rot. Bonds4

About 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (PubChem CID 112582851) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
PubChem CID112582851
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCC(Nc1cccc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C14H14BrFN2/c1-2-13(14-7-6-11(16)9-17-14)18-12-5-3-4-10(15)8-12/h3-9,13,18H,2H2,1H3
InChIKeyXGGKKOZXUBQSPL-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
4-bromo-2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938475
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 79713121
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115938792
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820
5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
CID 115938609
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582927

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The IUPAC name of 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (CID 112582851) is 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.
What is the SMILES notation for 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The canonical SMILES for 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is CCC(Nc1cccc(Br)c1)c1ccc(F)cn1.
What is the InChIKey of 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The InChIKey is XGGKKOZXUBQSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-2-13(14-7-6-11(16)9-17-14)18-12-5-3-4-10(15)8-12/h3-9,13,18H,2H2,1H3.
What are the key properties of 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline has a molecular weight of 309.18 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is sourced from PubChem (CID 112582851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).