1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine

C14H22N2O3Si — CID 171624275

IUPAC1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/C=N/CCOC[Si](C)(C)C
InChIInChI=1S/C14H22N2O3Si/c1-12-9-14(16(17)18)6-5-13(12)10-15-7-8-19-11-20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3/b15-10+
InChIKeyFCJAABHEGNDIII-XNTDXEJSSA-N
MW294.43 g/mol
LogP3.22
Rot. Bonds7

About 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine

1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine (PubChem CID 171624275) has the molecular formula C14H22N2O3Si and a molecular weight of 294.43 g/mol. Its IUPAC name is 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine.

Molecular Properties

Compound Name1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine
PubChem CID171624275
Molecular FormulaC14H22N2O3Si
Molecular Weight294.43 g/mol
Exact Mass294.14
IUPAC Name1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/C=N/CCOC[Si](C)(C)C
InChIInChI=1S/C14H22N2O3Si/c1-12-9-14(16(17)18)6-5-13(12)10-15-7-8-19-11-20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3/b15-10+
InChIKeyFCJAABHEGNDIII-XNTDXEJSSA-N
XLogP3.22
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

N-[(2-methyl-4-nitrophenyl)methyl]-2-(trimethylsilylmethoxy)ethanamine
CID 177253709
manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6712093
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826
iron(3+);bis(2-[2-(methylamino)ethyliminomethyl]-4-nitrophenol)
CID 135459871
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182
4-nitro-2-(octadecyliminomethyl)phenol
CID 4097275
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
CID 139264621
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-4-nitrophenolate
CID 7666580
2-methyl-1-(2-methylsulfanylethoxy)-4-nitrobenzene
CID 103907603

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine?
The IUPAC name of 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine (CID 171624275) is 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine.
What is the SMILES notation for 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine?
The canonical SMILES for 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine is Cc1cc([N+](=O)[O-])ccc1/C=N/CCOC[Si](C)(C)C.
What is the InChIKey of 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine?
The InChIKey is FCJAABHEGNDIII-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H22N2O3Si/c1-12-9-14(16(17)18)6-5-13(12)10-15-7-8-19-11-20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3/b15-10+.
What are the key properties of 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine?
1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine has a molecular weight of 294.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-nitrophenyl)-N-[2-(trimethylsilylmethoxy)ethyl]methanimine is sourced from PubChem (CID 171624275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).