2-(tert-butyl-chloro-methylsilyl)aniline

C11H18ClNSi — CID 169224080

IUPAC2-(tert-butyl-chloro-methylsilyl)aniline
SMILESCC(C)(C)[Si](C)(Cl)c1ccccc1N
InChIInChI=1S/C11H18ClNSi/c1-11(2,3)14(4,12)10-8-6-5-7-9(10)13/h5-8H,13H2,1-4H3
InChIKeyIMHSGHIDJNBGCY-UHFFFAOYSA-N
MW227.81 g/mol
LogP3.09
Rot. Bonds1

About 2-(tert-butyl-chloro-methylsilyl)aniline

2-(tert-butyl-chloro-methylsilyl)aniline (PubChem CID 169224080) has the molecular formula C11H18ClNSi and a molecular weight of 227.81 g/mol. Its IUPAC name is 2-(tert-butyl-chloro-methylsilyl)aniline.

Molecular Properties

Compound Name2-(tert-butyl-chloro-methylsilyl)aniline
PubChem CID169224080
Molecular FormulaC11H18ClNSi
Molecular Weight227.81 g/mol
Exact Mass227.09
IUPAC Name2-(tert-butyl-chloro-methylsilyl)aniline
SMILESCC(C)(C)[Si](C)(Cl)c1ccccc1N
InChIInChI=1S/C11H18ClNSi/c1-11(2,3)14(4,12)10-8-6-5-7-9(10)13/h5-8H,13H2,1-4H3
InChIKeyIMHSGHIDJNBGCY-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylaniline
CID 159041627
CID 175440029
CID 175440029
trimethyl-(2-trimethylsilylphenyl)silane
CID 519794
2-[3-(2-aminophenyl)-2-trimethylsilylphenyl]aniline
CID 154709030
1-(2,6-diaminophenyl)ethane-1,1-dithiol
CID 141077902
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
3-(2-aminophenyl)-3-methylbutane-2-thiol
CID 115020412
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
CID 154489620
benzene-1,2-diamine;N-methylmethanamine
CID 174458514
2-dimethylarsanylaniline
CID 101154305
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 18788179

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butyl-chloro-methylsilyl)aniline?
The IUPAC name of 2-(tert-butyl-chloro-methylsilyl)aniline (CID 169224080) is 2-(tert-butyl-chloro-methylsilyl)aniline.
What is the SMILES notation for 2-(tert-butyl-chloro-methylsilyl)aniline?
The canonical SMILES for 2-(tert-butyl-chloro-methylsilyl)aniline is CC(C)(C)[Si](C)(Cl)c1ccccc1N.
What is the InChIKey of 2-(tert-butyl-chloro-methylsilyl)aniline?
The InChIKey is IMHSGHIDJNBGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNSi/c1-11(2,3)14(4,12)10-8-6-5-7-9(10)13/h5-8H,13H2,1-4H3.
What are the key properties of 2-(tert-butyl-chloro-methylsilyl)aniline?
2-(tert-butyl-chloro-methylsilyl)aniline has a molecular weight of 227.81 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butyl-chloro-methylsilyl)aniline is sourced from PubChem (CID 169224080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).