(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride

C17H30ClNO2Si — CID 171263207

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C17H29NO2Si.ClH/c1-21(2,3)20-15-11-9-13(10-12-15)16(18)17(19)14-7-5-4-6-8-14;/h9-12,14,16-17,19H,4-8,18H2,1-3H3;1H/t16-,17+;/m1./s1
InChIKeyVIIFUUJVXIVCDF-PPPUBMIESA-N
MW343.97 g/mol
LogP4.26
Rot. Bonds5

About (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride (PubChem CID 171263207) has the molecular formula C17H30ClNO2Si and a molecular weight of 343.97 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
PubChem CID171263207
Molecular FormulaC17H30ClNO2Si
Molecular Weight343.97 g/mol
Exact Mass343.17
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C17H29NO2Si.ClH/c1-21(2,3)20-15-11-9-13(10-12-15)16(18)17(19)14-7-5-4-6-8-14;/h9-12,14,16-17,19H,4-8,18H2,1-3H3;1H/t16-,17+;/m1./s1
InChIKeyVIIFUUJVXIVCDF-PPPUBMIESA-N
XLogP4.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.97
LogP ≤ 54.26
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

(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268471
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1R,2S)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171269374
(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171263701
(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263209
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(R)-cyclopropyl-(4-trimethylsilyloxyphenyl)methanamine
CID 171207318
(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride (CID 171263207) is (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride is C[Si](C)(C)Oc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)cc1.Cl.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride?
The InChIKey is VIIFUUJVXIVCDF-PPPUBMIESA-N. The full InChI is InChI=1S/C17H29NO2Si.ClH/c1-21(2,3)20-15-11-9-13(10-12-15)16(18)17(19)14-7-5-4-6-8-14;/h9-12,14,16-17,19H,4-8,18H2,1-3H3;1H/t16-,17+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride has a molecular weight of 343.97 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171263207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).