(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine

C21H29NOSi — CID 10882340

IUPAC(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-21(2,3)24(4,5)23-20(19-14-10-7-11-15-19)17-22-16-18-12-8-6-9-13-18/h6-15,17,20H,16H2,1-5H3/b22-17+/t20-/m0/s1
InChIKeyMUUFJLWHEYNYBA-RWVGPTSPSA-N
MW339.56 g/mol
LogP6.02
Rot. Bonds6

About (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine

(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine (PubChem CID 10882340) has the molecular formula C21H29NOSi and a molecular weight of 339.56 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine
PubChem CID10882340
Molecular FormulaC21H29NOSi
Molecular Weight339.56 g/mol
Exact Mass339.20
IUPAC Name(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NOSi/c1-21(2,3)24(4,5)23-20(19-14-10-7-11-15-19)17-22-16-18-12-8-6-9-13-18/h6-15,17,20H,16H2,1-5H3/b22-17+/t20-/m0/s1
InChIKeyMUUFJLWHEYNYBA-RWVGPTSPSA-N
XLogP6.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 56.02
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 (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine?
The IUPAC name of (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine (CID 10882340) is (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine.
What is the SMILES notation for (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine?
The canonical SMILES for (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine is CC(C)(C)[Si](C)(C)O[C@@H](/C=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine?
The InChIKey is MUUFJLWHEYNYBA-RWVGPTSPSA-N. The full InChI is InChI=1S/C21H29NOSi/c1-21(2,3)24(4,5)23-20(19-14-10-7-11-15-19)17-22-16-18-12-8-6-9-13-18/h6-15,17,20H,16H2,1-5H3/b22-17+/t20-/m0/s1.
What are the key properties of (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine?
(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine has a molecular weight of 339.56 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethanimine is sourced from PubChem (CID 10882340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).