4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline

C14H14BrFN2 — CID 83117987

IUPAC4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2ccc(F)cn2)ccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-7-12(4-5-13(9)15)18-10(2)14-6-3-11(16)8-17-14/h3-8,10,18H,1-2H3
InChIKeyFQDHBNVEBKLFHE-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline

4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline (PubChem CID 83117987) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
PubChem CID83117987
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2ccc(F)cn2)ccc1Br
InChIInChI=1S/C14H14BrFN2/c1-9-7-12(4-5-13(9)15)18-10(2)14-6-3-11(16)8-17-14/h3-8,10,18H,1-2H3
InChIKeyFQDHBNVEBKLFHE-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
3-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methylaniline
CID 83118152
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylaniline
CID 83118311
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788261
4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 107787554
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline (CID 83117987) is 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline is Cc1cc(NC(C)c2ccc(F)cn2)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline?
The InChIKey is FQDHBNVEBKLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-7-12(4-5-13(9)15)18-10(2)14-6-3-11(16)8-17-14/h3-8,10,18H,1-2H3.
What are the key properties of 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline?
4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline has a molecular weight of 309.18 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline is sourced from PubChem (CID 83117987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).