(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride

C14H26ClNO2Si — CID 171263209

IUPAC(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C14H25NO2Si.ClH/c1-10(2)14(16)13(15)11-6-8-12(9-7-11)17-18(3,4)5;/h6-10,13-14,16H,15H2,1-5H3;1H/t13-,14+;/m1./s1
InChIKeyCCGDCLRXIHCZGX-DFQHDRSWSA-N
MW303.91 g/mol
LogP3.34
Rot. Bonds5

About (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride

(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride (PubChem CID 171263209) has the molecular formula C14H26ClNO2Si and a molecular weight of 303.91 g/mol. Its IUPAC name is (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
PubChem CID171263209
Molecular FormulaC14H26ClNO2Si
Molecular Weight303.91 g/mol
Exact Mass303.14
IUPAC Name(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C14H25NO2Si.ClH/c1-10(2)14(16)13(15)11-6-8-12(9-7-11)17-18(3,4)5;/h6-10,13-14,16H,15H2,1-5H3;1H/t13-,14+;/m1./s1
InChIKeyCCGDCLRXIHCZGX-DFQHDRSWSA-N
XLogP3.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.91
LogP ≤ 53.34
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-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
CID 171263207
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
CID 171248851
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
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
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride (CID 171263209) is (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride is CC(C)[C@H](O)[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl.
What is the InChIKey of (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
The InChIKey is CCGDCLRXIHCZGX-DFQHDRSWSA-N. The full InChI is InChI=1S/C14H25NO2Si.ClH/c1-10(2)14(16)13(15)11-6-8-12(9-7-11)17-18(3,4)5;/h6-10,13-14,16H,15H2,1-5H3;1H/t13-,14+;/m1./s1.
What are the key properties of (1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride?
(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride has a molecular weight of 303.91 g/mol, XLogP of 3.34, 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-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 171263209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).