5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline

C15H12BrF4N — CID 43555398

IUPAC5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12BrF4N/c1-9(21-14-8-10(16)6-7-13(14)17)11-4-2-3-5-12(11)15(18,19)20/h2-9,21H,1H3
InChIKeyJAEDNMSOPANKIM-UHFFFAOYSA-N
MW362.16 g/mol
LogP5.78
Rot. Bonds3

About 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline

5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43555398) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43555398
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12BrF4N/c1-9(21-14-8-10(16)6-7-13(14)17)11-4-2-3-5-12(11)15(18,19)20/h2-9,21H,1H3
InChIKeyJAEDNMSOPANKIM-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.16
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
3-bromo-4-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 104776143
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
4-bromo-3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 65437825
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 107630374
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
4-[1-(5-bromo-2-fluoroanilino)ethyl]benzene-1,3-diol
CID 43555382
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline (CID 43555398) is 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is CC(Nc1cc(Br)ccc1F)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is JAEDNMSOPANKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-9(21-14-8-10(16)6-7-13(14)17)11-4-2-3-5-12(11)15(18,19)20/h2-9,21H,1H3.
What are the key properties of 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline?
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 362.16 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43555398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).