2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline

C14H11BrF3NO — CID 102876260

IUPAC2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2c(F)cc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H11BrF3NO/c1-20-10-3-2-8(12(17)6-10)7-19-14-11(15)4-9(16)5-13(14)18/h2-6,19H,7H2,1H3
InChIKeyRPCPUOGGJPYGNY-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.49
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline

2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline (PubChem CID 102876260) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
PubChem CID102876260
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2c(F)cc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H11BrF3NO/c1-20-10-3-2-8(12(17)6-10)7-19-14-11(15)4-9(16)5-13(14)18/h2-6,19H,7H2,1H3
InChIKeyRPCPUOGGJPYGNY-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
2-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43775017
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60901393
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline (CID 102876260) is 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2c(F)cc(F)cc2Br)c(F)c1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
The InChIKey is RPCPUOGGJPYGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c1-20-10-3-2-8(12(17)6-10)7-19-14-11(15)4-9(16)5-13(14)18/h2-6,19H,7H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline?
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline has a molecular weight of 346.15 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 102876260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).