3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline

C15H12BrF4N — CID 65491388

IUPAC3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
SMILESCC(Nc1cc(Br)cc(C(F)(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C15H12BrF4N/c1-9(10-3-2-4-13(17)5-10)21-14-7-11(15(18,19)20)6-12(16)8-14/h2-9,21H,1H3
InChIKeyWPGQLQMSMFREEH-UHFFFAOYSA-N
MW362.16 g/mol
LogP5.78
Rot. Bonds3

About 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline

3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline (PubChem CID 65491388) has the molecular formula C15H12BrF4N and a molecular weight of 362.16 g/mol. Its IUPAC name is 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
PubChem CID65491388
Molecular FormulaC15H12BrF4N
Molecular Weight362.16 g/mol
Exact Mass361.01
IUPAC Name3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
SMILESCC(Nc1cc(Br)cc(C(F)(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C15H12BrF4N/c1-9(10-3-2-4-13(17)5-10)21-14-7-11(15(18,19)20)6-12(16)8-14/h2-9,21H,1H3
InChIKeyWPGQLQMSMFREEH-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

4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
CID 65491386
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
2-bromo-4-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43119400
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159
3-[1-[3-chloro-5-(trifluoromethyl)anilino]ethyl]phenol
CID 116698960
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3-bromo-N-but-3-en-2-yl-5-(trifluoromethyl)aniline
CID 107907159
3-bromo-N-(1,1-dimethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 65490001
3-bromo-N-(2-methylpentan-3-yl)-5-(trifluoromethyl)aniline
CID 65489006

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline (CID 65491388) is 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline is CC(Nc1cc(Br)cc(C(F)(F)F)c1)c1cccc(F)c1.
What is the InChIKey of 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is WPGQLQMSMFREEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF4N/c1-9(10-3-2-4-13(17)5-10)21-14-7-11(15(18,19)20)6-12(16)8-14/h2-9,21H,1H3.
What are the key properties of 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline?
3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)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 3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 65491388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).