[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone

C20H27NO2Si — CID 68830331

IUPAC[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(O[Si](C)(C)C(C)(C)C)ccc2N)c1
InChIInChI=1S/C20H27NO2Si/c1-14-8-7-9-15(12-14)19(22)17-13-16(10-11-18(17)21)23-24(5,6)20(2,3)4/h7-13H,21H2,1-6H3
InChIKeyCYFUULSCROVZPD-UHFFFAOYSA-N
MW341.53 g/mol
LogP5.19
Rot. Bonds4

About [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone

[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone (PubChem CID 68830331) has the molecular formula C20H27NO2Si and a molecular weight of 341.53 g/mol. Its IUPAC name is [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
PubChem CID68830331
Molecular FormulaC20H27NO2Si
Molecular Weight341.53 g/mol
Exact Mass341.18
IUPAC Name[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(O[Si](C)(C)C(C)(C)C)ccc2N)c1
InChIInChI=1S/C20H27NO2Si/c1-14-8-7-9-15(12-14)19(22)17-13-16(10-11-18(17)21)23-24(5,6)20(2,3)4/h7-13H,21H2,1-6H3
InChIKeyCYFUULSCROVZPD-UHFFFAOYSA-N
XLogP5.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
bis(3-methylphenyl)methanone
CID 17848
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664
4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylaniline
CID 163374975
N'-[tert-butyl(dimethyl)silyl]oxy-3-methylbenzenecarboximidamide
CID 91697332
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
tert-butyl-dimethyl-[1-(3-methylphenyl)prop-1-enoxy]silane
CID 75217044
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone?
The IUPAC name of [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone (CID 68830331) is [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cc(O[Si](C)(C)C(C)(C)C)ccc2N)c1.
What is the InChIKey of [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone?
The InChIKey is CYFUULSCROVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2Si/c1-14-8-7-9-15(12-14)19(22)17-13-16(10-11-18(17)21)23-24(5,6)20(2,3)4/h7-13H,21H2,1-6H3.
What are the key properties of [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone?
[2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone has a molecular weight of 341.53 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 68830331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).