2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline

C16H19Cl2NSi — CID 103437879

IUPAC2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESC[Si](C)(C)c1ccc(CNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H19Cl2NSi/c1-20(2,3)13-9-7-12(8-10-13)11-19-16-14(17)5-4-6-15(16)18/h4-10,19H,11H2,1-3H3
InChIKeyZMQCMWSRIUHHHT-UHFFFAOYSA-N
MW324.33 g/mol
LogP5.15
Rot. Bonds4

About 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline

2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline (PubChem CID 103437879) has the molecular formula C16H19Cl2NSi and a molecular weight of 324.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline
PubChem CID103437879
Molecular FormulaC16H19Cl2NSi
Molecular Weight324.33 g/mol
Exact Mass323.07
IUPAC Name2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESC[Si](C)(C)c1ccc(CNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H19Cl2NSi/c1-20(2,3)13-9-7-12(8-10-13)11-19-16-14(17)5-4-6-15(16)18/h4-10,19H,11H2,1-3H3
InChIKeyZMQCMWSRIUHHHT-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 55.15
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

N-[(4-chlorophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437532
2,6-dichloro-N-(furan-3-ylmethyl)aniline
CID 65468765
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
2,6-dichloro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 65468543
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
4-[(2-amino-6-chloroanilino)methyl]benzonitrile
CID 62267898

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline (CID 103437879) is 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline is C[Si](C)(C)c1ccc(CNc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline?
The InChIKey is ZMQCMWSRIUHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NSi/c1-20(2,3)13-9-7-12(8-10-13)11-19-16-14(17)5-4-6-15(16)18/h4-10,19H,11H2,1-3H3.
What are the key properties of 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline?
2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline has a molecular weight of 324.33 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline is sourced from PubChem (CID 103437879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).