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

C17H22BrNSi — CID 107633546

IUPAC3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCc1c(Br)cccc1NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H22BrNSi/c1-13-16(18)6-5-7-17(13)19-12-14-8-10-15(11-9-14)20(2,3)4/h5-11,19H,12H2,1-4H3
InChIKeyFHHFMKPAQYOSIL-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.91
Rot. Bonds4

About 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline

3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline (PubChem CID 107633546) has the molecular formula C17H22BrNSi and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
PubChem CID107633546
Molecular FormulaC17H22BrNSi
Molecular Weight348.36 g/mol
Exact Mass347.07
IUPAC Name3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCc1c(Br)cccc1NCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H22BrNSi/c1-13-16(18)6-5-7-17(13)19-12-14-8-10-15(11-9-14)20(2,3)4/h5-11,19H,12H2,1-4H3
InChIKeyFHHFMKPAQYOSIL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.91
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

2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
3-bromo-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107630050
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-methylaniline
CID 107629796
3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
CID 107630044
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
3-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylaniline
CID 107630089
4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
CID 107629630
5-bromo-4-fluoro-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107591833
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437428

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The IUPAC name of 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline (CID 107633546) is 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The canonical SMILES for 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline is Cc1c(Br)cccc1NCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The InChIKey is FHHFMKPAQYOSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNSi/c1-13-16(18)6-5-7-17(13)19-12-14-8-10-15(11-9-14)20(2,3)4/h5-11,19H,12H2,1-4H3.
What are the key properties of 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline has a molecular weight of 348.36 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline is sourced from PubChem (CID 107633546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).