1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine

C21H29NO2Si — CID 86728757

IUPAC1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine
SMILESCOc1cccc(/N=C/c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(5,6)24-16-18-12-10-17(11-13-18)15-22-19-8-7-9-20(14-19)23-4/h7-15H,16H2,1-6H3/b22-15+
InChIKeyUUGQQNZCCSOYQX-PXLXIMEGSA-N
MW355.55 g/mol
LogP5.97
Rot. Bonds6

About 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine (PubChem CID 86728757) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine
PubChem CID86728757
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine
SMILESCOc1cccc(/N=C/c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(5,6)24-16-18-12-10-17(11-13-18)15-22-19-8-7-9-20(14-19)23-4/h7-15H,16H2,1-6H3/b22-15+
InChIKeyUUGQQNZCCSOYQX-PXLXIMEGSA-N
XLogP5.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.55
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)methanimine
CID 86728650
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde
CID 139770376
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
CID 86728778
N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine
CID 86728938
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine (CID 86728757) is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine is COc1cccc(/N=C/c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine?
The InChIKey is UUGQQNZCCSOYQX-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-21(2,3)25(5,6)24-16-18-12-10-17(11-13-18)15-22-19-8-7-9-20(14-19)23-4/h7-15H,16H2,1-6H3/b22-15+.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine?
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine has a molecular weight of 355.55 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine is sourced from PubChem (CID 86728757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).