4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline

C13H22ClNOSi — CID 167731029

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)c(Cl)cc1N
InChIInChI=1S/C13H22ClNOSi/c1-9-7-12(10(14)8-11(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3
InChIKeyDMZVVNAMBHTKMS-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.61
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline

4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline (PubChem CID 167731029) has the molecular formula C13H22ClNOSi and a molecular weight of 271.86 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
PubChem CID167731029
Molecular FormulaC13H22ClNOSi
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)c(Cl)cc1N
InChIInChI=1S/C13H22ClNOSi/c1-9-7-12(10(14)8-11(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3
InChIKeyDMZVVNAMBHTKMS-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-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-methylaniline
CID 171834796
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane
CID 11168019
4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline
CID 141428127
3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobenzaldehyde
CID 86598025
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
(4-amino-2-chloro-5-methylphenyl) sulfite;azane
CID 175289666
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline
CID 169435458

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline (CID 167731029) is 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline is Cc1cc(O[Si](C)(C)C(C)(C)C)c(Cl)cc1N.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline?
The InChIKey is DMZVVNAMBHTKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNOSi/c1-9-7-12(10(14)8-11(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline?
4-[tert-butyl(dimethyl)silyl]oxy-5-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 4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline is sourced from PubChem (CID 167731029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).