3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline

C24H37NOSi — CID 11794388

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline
SMILESCC(C)(C)c1ccc(CNc2cccc(CO[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C24H37NOSi/c1-23(2,3)21-14-12-19(13-15-21)17-25-22-11-9-10-20(16-22)18-26-27(7,8)24(4,5)6/h9-16,25H,17-18H2,1-8H3
InChIKeyVBGLWGUSTHMMQD-UHFFFAOYSA-N
MW383.65 g/mol
LogP7.12
Rot. Bonds6

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline (PubChem CID 11794388) has the molecular formula C24H37NOSi and a molecular weight of 383.65 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline
PubChem CID11794388
Molecular FormulaC24H37NOSi
Molecular Weight383.65 g/mol
Exact Mass383.26
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline
SMILESCC(C)(C)c1ccc(CNc2cccc(CO[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C24H37NOSi/c1-23(2,3)21-14-12-19(13-15-21)17-25-22-11-9-10-20(16-22)18-26-27(7,8)24(4,5)6/h9-16,25H,17-18H2,1-8H3
InChIKeyVBGLWGUSTHMMQD-UHFFFAOYSA-N
XLogP7.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.65
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline 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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline (CID 11794388) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline is CC(C)(C)c1ccc(CNc2cccc(CO[Si](C)(C)C(C)(C)C)c2)cc1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline?
The InChIKey is VBGLWGUSTHMMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NOSi/c1-23(2,3)21-14-12-19(13-15-21)17-25-22-11-9-10-20(16-22)18-26-27(7,8)24(4,5)6/h9-16,25H,17-18H2,1-8H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline has a molecular weight of 383.65 g/mol, XLogP of 7.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(4-tert-butylphenyl)methyl]aniline is sourced from PubChem (CID 11794388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).