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

C15H14BrF2N — CID 107591660

IUPAC5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-7-14(18)12(16)8-15(9)19-10(2)11-5-3-4-6-13(11)17/h3-8,10,19H,1-2H3
InChIKeyJIOGVBNQIUPGFS-UHFFFAOYSA-N
MW326.18 g/mol
LogP5.21
Rot. Bonds3

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

5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline (PubChem CID 107591660) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
PubChem CID107591660
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-7-14(18)12(16)8-15(9)19-10(2)11-5-3-4-6-13(11)17/h3-8,10,19H,1-2H3
InChIKeyJIOGVBNQIUPGFS-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.18
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
5-bromo-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-2,4-difluoroaniline
CID 102852987
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 60936269
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
The IUPAC name of 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline (CID 107591660) is 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline is Cc1cc(F)c(Br)cc1NC(C)c1ccccc1F.
What is the InChIKey of 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
The InChIKey is JIOGVBNQIUPGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-7-14(18)12(16)8-15(9)19-10(2)11-5-3-4-6-13(11)17/h3-8,10,19H,1-2H3.
What are the key properties of 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline has a molecular weight of 326.18 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 107591660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).