4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline

C19H26ClNOSi — CID 141428127

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C19H26ClNOSi/c1-14-7-9-15(10-8-14)21-16-11-12-18(17(20)13-16)22-23(5,6)19(2,3)4/h7-13,21H,1-6H3
InChIKeyGBKHPBHDUNIWHZ-UHFFFAOYSA-N
MW347.96 g/mol
LogP6.78
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline

4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline (PubChem CID 141428127) has the molecular formula C19H26ClNOSi and a molecular weight of 347.96 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline
PubChem CID141428127
Molecular FormulaC19H26ClNOSi
Molecular Weight347.96 g/mol
Exact Mass347.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)cc1
InChIInChI=1S/C19H26ClNOSi/c1-14-7-9-15(10-8-14)21-16-11-12-18(17(20)13-16)22-23(5,6)19(2,3)4/h7-13,21H,1-6H3
InChIKeyGBKHPBHDUNIWHZ-UHFFFAOYSA-N
XLogP6.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.96
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]benzaldehyde
CID 42643383
4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
CID 167731029
1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol
CID 42642715
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
N-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyaniline
CID 91741360
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane
CID 11168019
tert-butyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987219
N-[3-acetyl-4-[tert-butyl(dimethyl)silyl]oxyphenyl]acetamide
CID 167715007
2,6-dichloro-4-methyl-N-(4-methylphenyl)aniline
CID 11369120

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline (CID 141428127) is 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline is Cc1ccc(Nc2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline?
The InChIKey is GBKHPBHDUNIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNOSi/c1-14-7-9-15(10-8-14)21-16-11-12-18(17(20)13-16)22-23(5,6)19(2,3)4/h7-13,21H,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline?
4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline has a molecular weight of 347.96 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-chloro-N-(4-methylphenyl)aniline is sourced from PubChem (CID 141428127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).