(1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol

C11H17Cl2NO2Si — CID 159549768

IUPAC(1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol
SMILESC[Si](C)(C)[C@@](O)(CN)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H17Cl2NO2Si/c1-17(2,3)11(15,7-14)16-8-4-5-9(12)10(13)6-8/h4-6,15H,7,14H2,1-3H3/t11-/m1/s1
InChIKeyMFFXFPJWPTTZKV-LLVKDONJSA-N
MW294.25 g/mol
LogP2.90
Rot. Bonds4

About (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol

(1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol (PubChem CID 159549768) has the molecular formula C11H17Cl2NO2Si and a molecular weight of 294.25 g/mol. Its IUPAC name is (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol
PubChem CID159549768
Molecular FormulaC11H17Cl2NO2Si
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name(1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol
SMILESC[Si](C)(C)[C@@](O)(CN)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H17Cl2NO2Si/c1-17(2,3)11(15,7-14)16-8-4-5-9(12)10(13)6-8/h4-6,15H,7,14H2,1-3H3/t11-/m1/s1
InChIKeyMFFXFPJWPTTZKV-LLVKDONJSA-N
XLogP2.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol
CID 161435417
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
CID 57144234
2-(3-chloro-4-fluorophenoxy)-2-methylpropan-1-amine
CID 63878843
(3,4-dichlorophenyl) 2-amino-2-methylpropanoate
CID 90947932
2-(3,4-dichlorophenoxy)-N'-methylethanimidamide
CID 3297094
3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109633
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 60999813
(3,4-dichlorophenyl) hypoiodite
CID 142013696
4-(bromomethoxy)-1,2-dichlorobenzene
CID 22961270

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol?
The IUPAC name of (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol (CID 159549768) is (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol.
What is the SMILES notation for (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol?
The canonical SMILES for (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol is C[Si](C)(C)[C@@](O)(CN)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol?
The InChIKey is MFFXFPJWPTTZKV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17Cl2NO2Si/c1-17(2,3)11(15,7-14)16-8-4-5-9(12)10(13)6-8/h4-6,15H,7,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol?
(1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol has a molecular weight of 294.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol is sourced from PubChem (CID 159549768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).