2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline

C16H16BrF2N — CID 43775035

IUPAC2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2c(F)cc(F)cc2Br)cc1C
InChIInChI=1S/C16H16BrF2N/c1-9-4-11(3)12(5-10(9)2)8-20-16-14(17)6-13(18)7-15(16)19/h4-7,20H,8H2,1-3H3
InChIKeySIKCEDPOWQGSFU-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.26
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline

2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 43775035) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID43775035
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1cc(C)c(CNc2c(F)cc(F)cc2Br)cc1C
InChIInChI=1S/C16H16BrF2N/c1-9-4-11(3)12(5-10(9)2)8-20-16-14(17)6-13(18)7-15(16)19/h4-7,20H,8H2,1-3H3
InChIKeySIKCEDPOWQGSFU-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-chloro-4-fluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107610737
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
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
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
2-bromo-4,6-difluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443621
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 43775035) is 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline is Cc1cc(C)c(CNc2c(F)cc(F)cc2Br)cc1C.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is SIKCEDPOWQGSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-9-4-11(3)12(5-10(9)2)8-20-16-14(17)6-13(18)7-15(16)19/h4-7,20H,8H2,1-3H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline?
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 340.21 g/mol, XLogP of 5.26, 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-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 43775035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).