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

C14H12BrF2N — CID 43168289

IUPAC2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrF2N/c1-9-2-4-10(5-3-9)8-18-14-12(15)6-11(16)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyYYZJUBLDNJVALU-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.65
Rot. Bonds3

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

2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline (PubChem CID 43168289) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
PubChem CID43168289
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrF2N/c1-9-2-4-10(5-3-9)8-18-14-12(15)6-11(16)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyYYZJUBLDNJVALU-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880726
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
2,4-difluoro-N-[(4-methylphenyl)methyl]-6-nitroaniline
CID 81310409
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767
2-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43775017
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2,6-dibromo-N-[(3-bromo-4-fluorophenyl)methyl]-4-methylaniline
CID 28984078
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
CID 62345433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline (CID 43168289) is 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline is Cc1ccc(CNc2c(F)cc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is YYZJUBLDNJVALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9-2-4-10(5-3-9)8-18-14-12(15)6-11(16)7-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline?
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 312.16 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 43168289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).