N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine

C17H28FNOSi — CID 58531187

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\CC(C)O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FNOSi/c1-13(20-21(6,7)17(3,4)5)12-19-14(2)15-8-10-16(18)11-9-15/h8-11,13H,12H2,1-7H3/b19-14+
InChIKeyFDZXWPRKYHEPBA-XMHGGMMESA-N
MW309.50 g/mol
LogP5.05
Rot. Bonds5

About N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine

N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine (PubChem CID 58531187) has the molecular formula C17H28FNOSi and a molecular weight of 309.50 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine
PubChem CID58531187
Molecular FormulaC17H28FNOSi
Molecular Weight309.50 g/mol
Exact Mass309.19
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\CC(C)O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FNOSi/c1-13(20-21(6,7)17(3,4)5)12-19-14(2)15-8-10-16(18)11-9-15/h8-11,13H,12H2,1-7H3/b19-14+
InChIKeyFDZXWPRKYHEPBA-XMHGGMMESA-N
XLogP5.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine (CID 58531187) is N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine is C/C(=N\CC(C)O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine?
The InChIKey is FDZXWPRKYHEPBA-XMHGGMMESA-N. The full InChI is InChI=1S/C17H28FNOSi/c1-13(20-21(6,7)17(3,4)5)12-19-14(2)15-8-10-16(18)11-9-15/h8-11,13H,12H2,1-7H3/b19-14+.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine?
N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine has a molecular weight of 309.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-fluorophenyl)ethanimine is sourced from PubChem (CID 58531187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).