4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline

C13H20F3NOSi — CID 167742653

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H20F3NOSi/c1-12(2,3)19(4,5)18-11-7-6-9(17)8-10(11)13(14,15)16/h6-8H,17H2,1-5H3
InChIKeyIIVGTSYMNAAKOU-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.67
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline

4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline (PubChem CID 167742653) has the molecular formula C13H20F3NOSi and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
PubChem CID167742653
Molecular FormulaC13H20F3NOSi
Molecular Weight291.39 g/mol
Exact Mass291.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H20F3NOSi/c1-12(2,3)19(4,5)18-11-7-6-9(17)8-10(11)13(14,15)16/h6-8H,17H2,1-5H3
InChIKeyIIVGTSYMNAAKOU-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.67
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-2,5-bis(trifluoromethyl)aniline
CID 169435458
3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
CID 167728842
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 102252770
4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 79717904
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 175020161
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
3-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
CID 62324537
4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenoxy]-3-(trifluoromethyl)aniline
CID 141306794

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline (CID 167742653) is 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline is CC(C)(C)[Si](C)(C)Oc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline?
The InChIKey is IIVGTSYMNAAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NOSi/c1-12(2,3)19(4,5)18-11-7-6-9(17)8-10(11)13(14,15)16/h6-8H,17H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline?
4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline has a molecular weight of 291.39 g/mol, XLogP of 4.67, 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-3-(trifluoromethyl)aniline is sourced from PubChem (CID 167742653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).