2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline

C14H11BrF3N — CID 107632832

IUPAC2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)ccc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H11BrF3N/c1-8(14-11(17)3-2-4-12(14)18)19-13-7-9(16)5-6-10(13)15/h2-8,19H,1H3
InChIKeyJOUPZIPDJPFJHH-UHFFFAOYSA-N
MW330.15 g/mol
LogP5.04
Rot. Bonds3

About 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline

2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline (PubChem CID 107632832) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
PubChem CID107632832
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
SMILESCC(Nc1cc(F)ccc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H11BrF3N/c1-8(14-11(17)3-2-4-12(14)18)19-13-7-9(16)5-6-10(13)15/h2-8,19H,1H3
InChIKeyJOUPZIPDJPFJHH-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.15
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107633140
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
CID 102852745
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline
CID 107632561
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
N-[1-(1-benzothiophen-2-yl)ethyl]-2-bromo-5-fluoroaniline
CID 107633231
2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline
CID 107632869
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
CID 43110826
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline (CID 107632832) is 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline is CC(Nc1cc(F)ccc1Br)c1c(F)cccc1F.
What is the InChIKey of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline?
The InChIKey is JOUPZIPDJPFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-8(14-11(17)3-2-4-12(14)18)19-13-7-9(16)5-6-10(13)15/h2-8,19H,1H3.
What are the key properties of 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline?
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline has a molecular weight of 330.15 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107632832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).