[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine

C13H22N2O3Si — CID 167724908

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1CN
InChIInChI=1S/C13H22N2O3Si/c1-13(2,3)19(4,5)18-12-8-11(15(16)17)7-6-10(12)9-14/h6-8H,9,14H2,1-5H3
InChIKeySCEHSBBNJPXACC-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.44
Rot. Bonds4

About [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine

[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine (PubChem CID 167724908) has the molecular formula C13H22N2O3Si and a molecular weight of 282.42 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
PubChem CID167724908
Molecular FormulaC13H22N2O3Si
Molecular Weight282.42 g/mol
Exact Mass282.14
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
SMILESCC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1CN
InChIInChI=1S/C13H22N2O3Si/c1-13(2,3)19(4,5)18-12-8-11(15(16)17)7-6-10(12)9-14/h6-8H,9,14H2,1-5H3
InChIKeySCEHSBBNJPXACC-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636
tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
CID 167525353
[4-bromo-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 61032055
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
1-(2,2-dimethylpropyl)-2-methoxy-4-nitrobenzene
CID 57080324
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 114856723
(2-bromo-5-nitrophenyl)methanamine
CID 59511923
(4-nitro-2-propylphenyl)methanamine
CID 152751762
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine (CID 167724908) is [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine is CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1CN.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine?
The InChIKey is SCEHSBBNJPXACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3Si/c1-13(2,3)19(4,5)18-12-8-11(15(16)17)7-6-10(12)9-14/h6-8H,9,14H2,1-5H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine?
[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine has a molecular weight of 282.42 g/mol, XLogP of 3.44, 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]oxy-4-nitrophenyl]methanamine is sourced from PubChem (CID 167724908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).