3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline

C30H33NO2Si — CID 44515131

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline
SMILESCOc1ccc(Nc2ccc(C)c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)cc1
InChIInChI=1S/C30H33NO2Si/c1-23-16-17-25(31-24-18-20-26(32-5)21-19-24)22-29(23)33-34(30(2,3)4,27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-22,31H,1-5H3
InChIKeyCSLPZDZXQVNUMK-UHFFFAOYSA-N
MW467.69 g/mol
LogP6.69
Rot. Bonds7

About 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline

3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline (PubChem CID 44515131) has the molecular formula C30H33NO2Si and a molecular weight of 467.69 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline
PubChem CID44515131
Molecular FormulaC30H33NO2Si
Molecular Weight467.69 g/mol
Exact Mass467.23
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline
SMILESCOc1ccc(Nc2ccc(C)c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)cc1
InChIInChI=1S/C30H33NO2Si/c1-23-16-17-25(31-24-18-20-26(32-5)21-19-24)22-29(23)33-34(30(2,3)4,27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-22,31H,1-5H3
InChIKeyCSLPZDZXQVNUMK-UHFFFAOYSA-N
XLogP6.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.69
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(6-methoxy-3-methyl-9H-carbazol-2-yl)oxy]-diphenylsilane
CID 44515132
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
CID 57321576
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 134358030
4-[(4-anilinophenoxy)-diphenylsilyl]oxy-N-phenylaniline
CID 154091218
3-methoxy-4-methyl-N-phenylaniline;oxido sulfite
CID 91481114
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline (CID 44515131) is 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline is COc1ccc(Nc2ccc(C)c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)cc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline?
The InChIKey is CSLPZDZXQVNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO2Si/c1-23-16-17-25(31-24-18-20-26(32-5)21-19-24)22-29(23)33-34(30(2,3)4,27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-22,31H,1-5H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline?
3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline has a molecular weight of 467.69 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline is sourced from PubChem (CID 44515131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).