5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline

C14H11BrF3N — CID 107591672

IUPAC5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NCc1cc(F)ccc1F
InChIInChI=1S/C14H11BrF3N/c1-8-4-13(18)11(15)6-14(8)19-7-9-5-10(16)2-3-12(9)17/h2-6,19H,7H2,1H3
InChIKeyAJLILFKZMFYGNJ-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.79
Rot. Bonds3

About 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline

5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline (PubChem CID 107591672) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
PubChem CID107591672
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NCc1cc(F)ccc1F
InChIInChI=1S/C14H11BrF3N/c1-8-4-13(18)11(15)6-14(8)19-7-9-5-10(16)2-3-12(9)17/h2-6,19H,7H2,1H3
InChIKeyAJLILFKZMFYGNJ-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,5-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107609530
2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
CID 104722778
5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
CID 107592012
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]benzene-1,3-diol
CID 103271230
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline
CID 43716958
4-bromo-2-[(5-bromo-4-fluoro-2-methylanilino)methyl]phenol
CID 107738057
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline?
The IUPAC name of 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline (CID 107591672) is 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline is Cc1cc(F)c(Br)cc1NCc1cc(F)ccc1F.
What is the InChIKey of 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline?
The InChIKey is AJLILFKZMFYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-8-4-13(18)11(15)6-14(8)19-7-9-5-10(16)2-3-12(9)17/h2-6,19H,7H2,1H3.
What are the key properties of 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline?
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline has a molecular weight of 330.15 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline is sourced from PubChem (CID 107591672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).