5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline

C17H21BrFNSi — CID 107591833

IUPAC5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCc1cc(F)c(Br)cc1NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H21BrFNSi/c1-12-9-16(19)15(18)10-17(12)20-11-13-5-7-14(8-6-13)21(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyPJXAROVSHMNHRD-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.05
Rot. Bonds4

About 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline

5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline (PubChem CID 107591833) has the molecular formula C17H21BrFNSi and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
PubChem CID107591833
Molecular FormulaC17H21BrFNSi
Molecular Weight366.35 g/mol
Exact Mass365.06
IUPAC Name5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCc1cc(F)c(Br)cc1NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H21BrFNSi/c1-12-9-16(19)15(18)10-17(12)20-11-13-5-7-14(8-6-13)21(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyPJXAROVSHMNHRD-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
CID 107591565
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591449
5-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 107591598
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-methylaniline
CID 107591591
5-bromo-4-fluoro-N-[(3-fluoro-4-nitrophenyl)methyl]-2-methylaniline
CID 107591900
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
3-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-fluorophenol
CID 107591256
4-bromo-N-[(3,5-difluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 105403343
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
5-bromo-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102852740
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]benzene-1,3-diol
CID 103271230
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline (CID 107591833) is 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline is Cc1cc(F)c(Br)cc1NCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The InChIKey is PJXAROVSHMNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFNSi/c1-12-9-16(19)15(18)10-17(12)20-11-13-5-7-14(8-6-13)21(2,3)4/h5-10,20H,11H2,1-4H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline has a molecular weight of 366.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline is sourced from PubChem (CID 107591833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).