2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

C13H20F3NOSi — CID 140801936

IUPAC2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCc1cc(C(C)(O[Si](C)(C)C)C(F)(F)F)ccc1N
InChIInChI=1S/C13H20F3NOSi/c1-9-8-10(6-7-11(9)17)12(2,13(14,15)16)18-19(3,4)5/h6-8H,17H2,1-5H3
InChIKeyRYLLUUCKYMKIMC-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.21
Rot. Bonds3

About 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline

2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (PubChem CID 140801936) has the molecular formula C13H20F3NOSi and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
PubChem CID140801936
Molecular FormulaC13H20F3NOSi
Molecular Weight291.39 g/mol
Exact Mass291.13
IUPAC Name2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
SMILESCc1cc(C(C)(O[Si](C)(C)C)C(F)(F)F)ccc1N
InChIInChI=1S/C13H20F3NOSi/c1-9-8-10(6-7-11(9)17)12(2,13(14,15)16)18-19(3,4)5/h6-8H,17H2,1-5H3
InChIKeyRYLLUUCKYMKIMC-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.21
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

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
2-(4-Amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1275346
4-(((Trimethylsilyl)oxy)methyl)aniline
CID 11401321
2-(4-Amino-3-fluorophenyl)propan-2-ol
CID 70331607
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)aniline
CID 89003997
2-(4-Amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543596
Trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane
CID 86223117
4-Aminobenzyloxy-tert-butyldimethylsilane
CID 11075470
5-(4-Aminophenyl)nonan-5-ol
CID 69589540
2-(2-Amino-5-tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 340177
2-(2-Amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;hydrochloride
CID 54601555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The IUPAC name of 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline (CID 140801936) is 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline.
What is the SMILES notation for 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The canonical SMILES for 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is Cc1cc(C(C)(O[Si](C)(C)C)C(F)(F)F)ccc1N.
What is the InChIKey of 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
The InChIKey is RYLLUUCKYMKIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NOSi/c1-9-8-10(6-7-11(9)17)12(2,13(14,15)16)18-19(3,4)5/h6-8H,17H2,1-5H3.
What are the key properties of 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline?
2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline has a molecular weight of 291.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline is sourced from PubChem (CID 140801936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).