2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline

C13H22N2O3Si — CID 59232424

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline
SMILESCC(C)(C)[Si](C)(C)OCc1c(N)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H22N2O3Si/c1-13(2,3)19(4,5)18-9-10-11(14)7-6-8-12(10)15(16)17/h6-8H,9,14H2,1-5H3
InChIKeyQBOAZBMEJPSWJX-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.70
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline (PubChem CID 59232424) has the molecular formula C13H22N2O3Si and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline
PubChem CID59232424
Molecular FormulaC13H22N2O3Si
Molecular Weight282.42 g/mol
Exact Mass282.14
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline
SMILESCC(C)(C)[Si](C)(C)OCc1c(N)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H22N2O3Si/c1-13(2,3)19(4,5)18-9-10-11(14)7-6-8-12(10)15(16)17/h6-8H,9,14H2,1-5H3
InChIKeyQBOAZBMEJPSWJX-UHFFFAOYSA-N
XLogP3.70
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-2-ethylaniline;tert-butyl-(2-ethyl-3-nitrophenoxy)-dimethylsilane;ethanol;methane
CID 163437654
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-nitrophenyl]methyl methanesulfonate
CID 140809704
3-nitro-2-propylaniline
CID 70010026
2-(2-amino-6-nitrophenyl)acetic acid
CID 118992480
(2S)-2-(2-bromo-6-nitroanilino)-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 168863395
ethyl 3-(2-amino-6-nitrophenyl)propanoate;hydrochloride
CID 174372972
tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
CID 171727294
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
(2,6-dinitrophenyl)methyl 2-methylprop-2-enoate
CID 88709491
2-[(2-amino-6-nitrophenyl)diazenyl]-3-nitroaniline
CID 141030925
tert-butyl-dimethyl-[3-(4-nitro-2H-indazol-3-yl)prop-2-ynoxy]silane
CID 141205426
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one
CID 68706195

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline (CID 59232424) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline is CC(C)(C)[Si](C)(C)OCc1c(N)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline?
The InChIKey is QBOAZBMEJPSWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3Si/c1-13(2,3)19(4,5)18-9-10-11(14)7-6-8-12(10)15(16)17/h6-8H,9,14H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline has a molecular weight of 282.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline is sourced from PubChem (CID 59232424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).