1-(3-amino-2-trimethylsilyloxyphenyl)ethanone

C11H17NO2Si — CID 167720132

IUPAC1-(3-amino-2-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cccc(N)c1O[Si](C)(C)C
InChIInChI=1S/C11H17NO2Si/c1-8(13)9-6-5-7-10(12)11(9)14-15(2,3)4/h5-7H,12H2,1-4H3
InChIKeyVDXMYNWJMKYSSF-UHFFFAOYSA-N
MW223.35 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone

1-(3-amino-2-trimethylsilyloxyphenyl)ethanone (PubChem CID 167720132) has the molecular formula C11H17NO2Si and a molecular weight of 223.35 g/mol. Its IUPAC name is 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-trimethylsilyloxyphenyl)ethanone
PubChem CID167720132
Molecular FormulaC11H17NO2Si
Molecular Weight223.35 g/mol
Exact Mass223.10
IUPAC Name1-(3-amino-2-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cccc(N)c1O[Si](C)(C)C
InChIInChI=1S/C11H17NO2Si/c1-8(13)9-6-5-7-10(12)11(9)14-15(2,3)4/h5-7H,12H2,1-4H3
InChIKeyVDXMYNWJMKYSSF-UHFFFAOYSA-N
XLogP2.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-2-(trifluoromethoxy)phenyl]ethanone
CID 170997627
1-(4-trimethylsilyloxynaphthalen-1-yl)ethanone
CID 167726517
3-amino-2-methoxybenzoic acid
CID 19849158
3-iodo-2-trimethylsilyloxybenzoic acid
CID 167722923
1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
CID 174453955
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
phenyl 2-acetyl-6-aminobenzoate
CID 58782447
(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
3-amino-2-aminooxybenzoic acid
CID 54335840
3-amino-N-methyl-2-propan-2-yloxybenzamide
CID 154814948
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
3-acetyl-2-acetyloxybenzoic acid
CID 18432402

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone?
The IUPAC name of 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone (CID 167720132) is 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone?
The canonical SMILES for 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone is CC(=O)c1cccc(N)c1O[Si](C)(C)C.
What is the InChIKey of 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone?
The InChIKey is VDXMYNWJMKYSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2Si/c1-8(13)9-6-5-7-10(12)11(9)14-15(2,3)4/h5-7H,12H2,1-4H3.
What are the key properties of 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone?
1-(3-amino-2-trimethylsilyloxyphenyl)ethanone has a molecular weight of 223.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-trimethylsilyloxyphenyl)ethanone is sourced from PubChem (CID 167720132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).