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

C31H33NOSi — CID 134870837

IUPAC(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine
SMILESCC(C)(C)[Si](O[C@@H](/C=N\Cc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NOSi/c1-31(2,3)34(28-20-12-6-13-21-28,29-22-14-7-15-23-29)33-30(27-18-10-5-11-19-27)25-32-24-26-16-8-4-9-17-26/h4-23,25,30H,24H2,1-3H3/b32-25-/t30-/m0/s1
InChIKeyJTVAGSOEPBJBIW-JWBXFTCRSA-N
MW463.70 g/mol
LogP6.58
Rot. Bonds8

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

(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine (PubChem CID 134870837) has the molecular formula C31H33NOSi and a molecular weight of 463.70 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine
PubChem CID134870837
Molecular FormulaC31H33NOSi
Molecular Weight463.70 g/mol
Exact Mass463.23
IUPAC Name(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine
SMILESCC(C)(C)[Si](O[C@@H](/C=N\Cc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NOSi/c1-31(2,3)34(28-20-12-6-13-21-28,29-22-14-7-15-23-29)33-30(27-18-10-5-11-19-27)25-32-24-26-16-8-4-9-17-26/h4-23,25,30H,24H2,1-3H3/b32-25-/t30-/m0/s1
InChIKeyJTVAGSOEPBJBIW-JWBXFTCRSA-N
XLogP6.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.70
LogP ≤ 56.58
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'}

Analyze (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine?
The IUPAC name of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine (CID 134870837) is (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine.
What is the SMILES notation for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine?
The canonical SMILES for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine is CC(C)(C)[Si](O[C@@H](/C=N\Cc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine?
The InChIKey is JTVAGSOEPBJBIW-JWBXFTCRSA-N. The full InChI is InChI=1S/C31H33NOSi/c1-31(2,3)34(28-20-12-6-13-21-28,29-22-14-7-15-23-29)33-30(27-18-10-5-11-19-27)25-32-24-26-16-8-4-9-17-26/h4-23,25,30H,24H2,1-3H3/b32-25-/t30-/m0/s1.
What are the key properties of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine?
(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylethanimine has a molecular weight of 463.70 g/mol, XLogP of 6.58, 8 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(diphenyl)silyl]oxy-2-phenylethanimine is sourced from PubChem (CID 134870837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).