(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol

C17H21Cl2NOSi — CID 46892022

IUPAC(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol
SMILESC[Si](C)(C)c1ccc([C@H](O)[C@H](N)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H21Cl2NOSi/c1-22(2,3)13-7-4-11(5-8-13)17(21)16(20)12-6-9-14(18)15(19)10-12/h4-10,16-17,21H,20H2,1-3H3/t16-,17+/m1/s1
InChIKeyUMLYSIWVXIMGKD-SJORKVTESA-N
MW354.35 g/mol
LogP4.27
Rot. Bonds4

About (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol

(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol (PubChem CID 46892022) has the molecular formula C17H21Cl2NOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol
PubChem CID46892022
Molecular FormulaC17H21Cl2NOSi
Molecular Weight354.35 g/mol
Exact Mass353.08
IUPAC Name(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol
SMILESC[Si](C)(C)c1ccc([C@H](O)[C@H](N)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H21Cl2NOSi/c1-22(2,3)13-7-4-11(5-8-13)17(21)16(20)12-6-9-14(18)15(19)10-12/h4-10,16-17,21H,20H2,1-3H3/t16-,17+/m1/s1
InChIKeyUMLYSIWVXIMGKD-SJORKVTESA-N
XLogP4.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 46892159
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
2-amino-1-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)ethanol
CID 75229002
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
CID 46892293
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxolan-3-yloxy)phenyl]ethanol
CID 46892294
2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 75228946
2-[[4-[(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-hydroxyethyl]phenoxy]methyl]-3-chloro-2-methylpropan-1-ol
CID 59446365
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-3-methylphenyl]ethanol
CID 46893169
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol?
The IUPAC name of (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol (CID 46892022) is (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol is C[Si](C)(C)c1ccc([C@H](O)[C@H](N)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol?
The InChIKey is UMLYSIWVXIMGKD-SJORKVTESA-N. The full InChI is InChI=1S/C17H21Cl2NOSi/c1-22(2,3)13-7-4-11(5-8-13)17(21)16(20)12-6-9-14(18)15(19)10-12/h4-10,16-17,21H,20H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol?
(1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol has a molecular weight of 354.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-(3,4-dichlorophenyl)-1-(4-trimethylsilylphenyl)ethanol is sourced from PubChem (CID 46892022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).