2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline

C13H12BrFN2 — CID 60864895

IUPAC2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
SMILESFc1ccc(NCCc2ccncc2)c(Br)c1
InChIInChI=1S/C13H12BrFN2/c14-12-9-11(15)1-2-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8H2
InChIKeyLZSOTBLUECLJDY-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.64
Rot. Bonds4

About 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline

2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 60864895) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
PubChem CID60864895
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
SMILESFc1ccc(NCCc2ccncc2)c(Br)c1
InChIInChI=1S/C13H12BrFN2/c14-12-9-11(15)1-2-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8H2
InChIKeyLZSOTBLUECLJDY-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,3-dichloro-N-(2-pyridin-4-ylethyl)aniline
CID 114001741
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124
2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
2,6-dichloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83077807
3-(2-bromo-4-fluoroanilino)propanoic acid
CID 28939323
2,4,5-trichloro-N-(2-pyridin-4-ylethyl)aniline
CID 60864708
3-fluoro-4-(2-pyridin-4-ylethylamino)benzenecarbothioamide
CID 54944077
4-bromo-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 24902957
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
4-bromo-3-methoxy-N-(2-pyridin-4-ylethyl)aniline
CID 82868263

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline (CID 60864895) is 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline is Fc1ccc(NCCc2ccncc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is LZSOTBLUECLJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-12-9-11(15)1-2-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8H2.
What are the key properties of 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline?
2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 295.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 60864895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).