4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline

C14H11BrCl2FN — CID 43126621

IUPAC4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11BrCl2FN/c1-8(9-2-4-11(18)5-3-9)19-14-12(16)6-10(15)7-13(14)17/h2-8,19H,1H3
InChIKeyVRGYUQQIPROOHE-UHFFFAOYSA-N
MW363.06 g/mol
LogP6.07
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline

4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline (PubChem CID 43126621) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
PubChem CID43126621
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11BrCl2FN/c1-8(9-2-4-11(18)5-3-9)19-14-12(16)6-10(15)7-13(14)17/h2-8,19H,1H3
InChIKeyVRGYUQQIPROOHE-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline (CID 43126621) is 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline is CC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
The InChIKey is VRGYUQQIPROOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c1-8(9-2-4-11(18)5-3-9)19-14-12(16)6-10(15)7-13(14)17/h2-8,19H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline has a molecular weight of 363.06 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43126621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).