2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline

C15H13Br3FNO — CID 43773626

IUPAC2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2c(Br)cc(Br)cc2Br)c(F)c1
InChIInChI=1S/C15H13Br3FNO/c1-8(11-4-3-10(21-2)7-14(11)19)20-15-12(17)5-9(16)6-13(15)18/h3-8,20H,1-2H3
InChIKeyQACGVUAGLYPFNA-UHFFFAOYSA-N
MW481.99 g/mol
LogP6.29
Rot. Bonds4

About 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline

2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (PubChem CID 43773626) has the molecular formula C15H13Br3FNO and a molecular weight of 481.99 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
PubChem CID43773626
Molecular FormulaC15H13Br3FNO
Molecular Weight481.99 g/mol
Exact Mass478.85
IUPAC Name2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(C(C)Nc2c(Br)cc(Br)cc2Br)c(F)c1
InChIInChI=1S/C15H13Br3FNO/c1-8(11-4-3-10(21-2)7-14(11)19)20-15-12(17)5-9(16)6-13(15)18/h3-8,20H,1-2H3
InChIKeyQACGVUAGLYPFNA-UHFFFAOYSA-N
XLogP6.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.99
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,3-dichloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107787865
2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43126327
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline
CID 82964704
2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 61074846
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzoic acid
CID 43774339
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
[(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397533
[(4-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397835
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
2-[1-(2,6-dibromoanilino)ethyl]-4-methoxyphenol
CID 107597660

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (CID 43773626) is 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is COc1ccc(C(C)Nc2c(Br)cc(Br)cc2Br)c(F)c1.
What is the InChIKey of 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The InChIKey is QACGVUAGLYPFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3FNO/c1-8(11-4-3-10(21-2)7-14(11)19)20-15-12(17)5-9(16)6-13(15)18/h3-8,20H,1-2H3.
What are the key properties of 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline has a molecular weight of 481.99 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43773626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).