4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline

C15H13BrF3N — CID 43110480

IUPAC4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3N/c1-10(20-14-7-5-13(16)6-8-14)11-3-2-4-12(9-11)15(17,18)19/h2-10,20H,1H3
InChIKeyAVHXBDBVBABTLA-UHFFFAOYSA-N
MW344.17 g/mol
LogP5.64
Rot. Bonds3

About 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline

4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 43110480) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
PubChem CID43110480
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13BrF3N/c1-10(20-14-7-5-13(16)6-8-14)11-3-2-4-12(9-11)15(17,18)19/h2-10,20H,1H3
InChIKeyAVHXBDBVBABTLA-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.17
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164
3-[1-[4-(trifluoromethyl)anilino]ethyl]aniline
CID 62649270
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
2-bromo-4-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43119400
3-bromo-N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)aniline
CID 65491388
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 82710637
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107244
N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43223829
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
The IUPAC name of 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline (CID 43110480) is 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
The canonical SMILES for 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline is CC(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
The InChIKey is AVHXBDBVBABTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-10(20-14-7-5-13(16)6-8-14)11-3-2-4-12(9-11)15(17,18)19/h2-10,20H,1H3.
What are the key properties of 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline?
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 344.17 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43110480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).