(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride

C13H24ClNO2Si — CID 171263199

IUPAC(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C13H23NO2Si.ClH/c1-5-12(15)13(14)10-6-8-11(9-7-10)16-17(2,3)4;/h6-9,12-13,15H,5,14H2,1-4H3;1H/t12-,13+;/m0./s1
InChIKeyYTKWBBDAMWBDGY-JHEYCYPBSA-N
MW289.88 g/mol
LogP3.09
Rot. Bonds5

About (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride (PubChem CID 171263199) has the molecular formula C13H24ClNO2Si and a molecular weight of 289.88 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
PubChem CID171263199
Molecular FormulaC13H24ClNO2Si
Molecular Weight289.88 g/mol
Exact Mass289.13
IUPAC Name(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
SMILESCC[C@H](O)[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C13H23NO2Si.ClH/c1-5-12(15)13(14)10-6-8-11(9-7-10)16-17(2,3)4;/h6-9,12-13,15H,5,14H2,1-4H3;1H/t12-,13+;/m0./s1
InChIKeyYTKWBBDAMWBDGY-JHEYCYPBSA-N
XLogP3.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263209
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
CID 171248851
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)butan-2-ol;hydrochloride
CID 171162399
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
CID 171263207
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
CID 171226877
trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887552
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride (CID 171263199) is (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride is CC[C@H](O)[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
The InChIKey is YTKWBBDAMWBDGY-JHEYCYPBSA-N. The full InChI is InChI=1S/C13H23NO2Si.ClH/c1-5-12(15)13(14)10-6-8-11(9-7-10)16-17(2,3)4;/h6-9,12-13,15H,5,14H2,1-4H3;1H/t12-,13+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 171263199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).