(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone

C13H21NO2Si — CID 140712461

IUPAC(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone
SMILESCC(C)(C)[Si](C)(C)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H21NO2Si/c1-13(2,3)17(4,5)12(16)10-8-9(15)6-7-11(10)14/h6-8,15H,14H2,1-5H3
InChIKeyXMJBDQITPZTADQ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.20
Rot. Bonds2

About (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone

(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone (PubChem CID 140712461) has the molecular formula C13H21NO2Si and a molecular weight of 251.40 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone
PubChem CID140712461
Molecular FormulaC13H21NO2Si
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone
SMILESCC(C)(C)[Si](C)(C)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H21NO2Si/c1-13(2,3)17(4,5)12(16)10-8-9(15)6-7-11(10)14/h6-8,15H,14H2,1-5H3
InChIKeyXMJBDQITPZTADQ-UHFFFAOYSA-N
XLogP3.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
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CID 106274538
2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne
CID 143940504
2-amino-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 107075849
1-(2-amino-5-hydroxyphenyl)-3-bromopropan-1-one
CID 118835710
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
(2R)-2-amino-2-(2-amino-5-hydroxyphenyl)propanoic acid
CID 130783771
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 131921480
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone?
The IUPAC name of (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone (CID 140712461) is (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone.
What is the SMILES notation for (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone?
The canonical SMILES for (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone is CC(C)(C)[Si](C)(C)C(=O)c1cc(O)ccc1N.
What is the InChIKey of (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone?
The InChIKey is XMJBDQITPZTADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2Si/c1-13(2,3)17(4,5)12(16)10-8-9(15)6-7-11(10)14/h6-8,15H,14H2,1-5H3.
What are the key properties of (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone?
(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone has a molecular weight of 251.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone is sourced from PubChem (CID 140712461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).