3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline

C13H22ClNOSi — CID 171834796

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline
SMILESCc1c(O[Si](C)(C)C(C)(C)C)ccc(Cl)c1N
InChIInChI=1S/C13H22ClNOSi/c1-9-11(8-7-10(14)12(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3
InChIKeySJAXWGWMGCTUEP-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.61
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline

3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline (PubChem CID 171834796) has the molecular formula C13H22ClNOSi and a molecular weight of 271.86 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline
PubChem CID171834796
Molecular FormulaC13H22ClNOSi
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline
SMILESCc1c(O[Si](C)(C)C(C)(C)C)ccc(Cl)c1N
InChIInChI=1S/C13H22ClNOSi/c1-9-11(8-7-10(14)12(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3
InChIKeySJAXWGWMGCTUEP-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
CID 167731029
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
[3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-fluorophenyl]boronic acid
CID 171338487
2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbenzaldehyde
CID 131734421
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline
CID 141428127
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-amine
CID 58260729
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-8-chloronaphthalen-2-yl]oxy-dimethylsilane
CID 15437908
2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-3-methylbenzoic acid
CID 167726128

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline (CID 171834796) is 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline is Cc1c(O[Si](C)(C)C(C)(C)C)ccc(Cl)c1N.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline?
The InChIKey is SJAXWGWMGCTUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNOSi/c1-9-11(8-7-10(14)12(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline?
3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline has a molecular weight of 271.86 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline is sourced from PubChem (CID 171834796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).