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

C13H22BrNOSi — CID 167739749

IUPAC4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
SMILESCc1cc(Br)c(O[Si](C)(C)C(C)(C)C)cc1N
InChIInChI=1S/C13H22BrNOSi/c1-9-7-10(14)12(8-11(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3
InChIKeyHCXVPLZAKHFXOZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.72
Rot. Bonds2

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

4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline (PubChem CID 167739749) has the molecular formula C13H22BrNOSi and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline.

Molecular Properties

Compound Name4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
PubChem CID167739749
Molecular FormulaC13H22BrNOSi
Molecular Weight316.32 g/mol
Exact Mass315.07
IUPAC Name4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
SMILESCc1cc(Br)c(O[Si](C)(C)C(C)(C)C)cc1N
InChIInChI=1S/C13H22BrNOSi/c1-9-7-10(14)12(8-11(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3
InChIKeyHCXVPLZAKHFXOZ-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.72
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
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylaniline
CID 11043205
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
CID 58833573
4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline
CID 169435458
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109
(4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane
CID 167722585
3-bromo-4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 59470533
4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
CID 167728842
1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline?
The IUPAC name of 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline (CID 167739749) is 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline.
What is the SMILES notation for 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline?
The canonical SMILES for 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline is Cc1cc(Br)c(O[Si](C)(C)C(C)(C)C)cc1N.
What is the InChIKey of 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline?
The InChIKey is HCXVPLZAKHFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNOSi/c1-9-7-10(14)12(8-11(9)15)16-17(5,6)13(2,3)4/h7-8H,15H2,1-6H3.
What are the key properties of 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline?
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline has a molecular weight of 316.32 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline is sourced from PubChem (CID 167739749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).