3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile

C20H26N2O2Si — CID 152645597

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile
SMILESCOc1c(C#N)cccc1Nc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O2Si/c1-20(2,3)25(5,6)24-17-12-10-16(11-13-17)22-18-9-7-8-15(14-21)19(18)23-4/h7-13,22H,1-6H3
InChIKeyZGLZAXFXJAEHIE-UHFFFAOYSA-N
MW354.53 g/mol
LogP5.69
Rot. Bonds5

About 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile

3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile (PubChem CID 152645597) has the molecular formula C20H26N2O2Si and a molecular weight of 354.53 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile
PubChem CID152645597
Molecular FormulaC20H26N2O2Si
Molecular Weight354.53 g/mol
Exact Mass354.18
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile
SMILESCOc1c(C#N)cccc1Nc1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O2Si/c1-20(2,3)25(5,6)24-17-12-10-16(11-13-17)22-18-9-7-8-15(14-21)19(18)23-4/h7-13,22H,1-6H3
InChIKeyZGLZAXFXJAEHIE-UHFFFAOYSA-N
XLogP5.69
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-methoxyanilino)benzonitrile
CID 104716194
3-tert-butyl-2-methoxybenzonitrile
CID 10397629
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1H-pyrazol-5-amine
CID 67009063
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline
CID 142566635
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-bromo-3-fluoro-4-(4-methoxyanilino)benzonitrile
CID 107532976
3-chloro-2-methoxybenzonitrile
CID 82652815
2-amino-3-(3-bromo-4-methoxyanilino)benzonitrile
CID 104716862
[4-(4-methoxyanilino)naphthalen-1-yl] thiocyanate
CID 101071326
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
2-methoxy-3-phenylbenzonitrile
CID 91276072

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile (CID 152645597) is 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile is COc1c(C#N)cccc1Nc1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile?
The InChIKey is ZGLZAXFXJAEHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2Si/c1-20(2,3)25(5,6)24-17-12-10-16(11-13-17)22-18-9-7-8-15(14-21)19(18)23-4/h7-13,22H,1-6H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile?
3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile has a molecular weight of 354.53 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxyanilino]-2-methoxybenzonitrile is sourced from PubChem (CID 152645597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).