N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline

C32H37NO2Si — CID 153411901

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C32H37NO2Si/c1-32(2,3)36(30-19-10-6-11-20-30,31-21-12-7-13-22-31)35-24-23-33(4)28-17-14-18-29(25-28)34-26-27-15-8-5-9-16-27/h5-22,25H,23-24,26H2,1-4H3
InChIKeyGMXQUNLFLPMLSH-UHFFFAOYSA-N
MW495.74 g/mol
LogP6.28
Rot. Bonds10

About N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline (PubChem CID 153411901) has the molecular formula C32H37NO2Si and a molecular weight of 495.74 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline
PubChem CID153411901
Molecular FormulaC32H37NO2Si
Molecular Weight495.74 g/mol
Exact Mass495.26
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C32H37NO2Si/c1-32(2,3)36(30-19-10-6-11-20-30,31-21-12-7-13-22-31)35-24-23-33(4)28-17-14-18-29(25-28)34-26-27-15-8-5-9-16-27/h5-22,25H,23-24,26H2,1-4H3
InChIKeyGMXQUNLFLPMLSH-UHFFFAOYSA-N
XLogP6.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine
CID 162250752
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]methanol
CID 69313641
5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxy-4-(2-thiophen-2-ylethenyl)aniline;methane
CID 159853084
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 171455039
benzyl 3-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(3-oxo-3-phenylmethoxypropyl)amino]ethyl-(3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 21359594
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
N-[2-[N-methyl-3-[(3-phenylphenyl)methoxy]anilino]ethyl]acetamide
CID 71481495
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
5-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde
CID 123610665
1-[2-(3-methylbutoxy)propan-2-yl]-3-phenylmethoxybenzene
CID 171082478
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline (CID 153411901) is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline is CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline?
The InChIKey is GMXQUNLFLPMLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO2Si/c1-32(2,3)36(30-19-10-6-11-20-30,31-21-12-7-13-22-31)35-24-23-33(4)28-17-14-18-29(25-28)34-26-27-15-8-5-9-16-27/h5-22,25H,23-24,26H2,1-4H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline?
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline has a molecular weight of 495.74 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline is sourced from PubChem (CID 153411901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).