(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol

C12H20ClNO2Si — CID 161435417

IUPAC(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol
SMILESC[Si](C)(C)[C@@](O)(CN)Oc1ccc(CCl)cc1
InChIInChI=1S/C12H20ClNO2Si/c1-17(2,3)12(15,9-14)16-11-6-4-10(8-13)5-7-11/h4-7,15H,8-9,14H2,1-3H3/t12-/m1/s1
InChIKeyVYOSEJQSSSUKNR-GFCCVEGCSA-N
MW273.84 g/mol
LogP2.33
Rot. Bonds5

About (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol

(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol (PubChem CID 161435417) has the molecular formula C12H20ClNO2Si and a molecular weight of 273.84 g/mol. Its IUPAC name is (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol
PubChem CID161435417
Molecular FormulaC12H20ClNO2Si
Molecular Weight273.84 g/mol
Exact Mass273.10
IUPAC Name(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol
SMILESC[Si](C)(C)[C@@](O)(CN)Oc1ccc(CCl)cc1
InChIInChI=1S/C12H20ClNO2Si/c1-17(2,3)12(15,9-14)16-11-6-4-10(8-13)5-7-11/h4-7,15H,8-9,14H2,1-3H3/t12-/m1/s1
InChIKeyVYOSEJQSSSUKNR-GFCCVEGCSA-N
XLogP2.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(3,4-dichlorophenoxy)-1-trimethylsilylethanol
CID 159549768
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
2-[4-(chloromethyl)phenyl]propan-2-amine
CID 59036777
CID 59510583
CID 59510583
2-[4-(chloromethyl)phenoxy]acetyl chloride
CID 163550432
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
1,2-diamino-1-(4-methylphenoxy)ethanol
CID 163237521
1,4-bis[[4-(chloromethyl)phenoxy]methyl]benzene
CID 10340152
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515
2-(4-benzylphenoxy)-2-methylpropan-1-amine
CID 62353621

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol?
The IUPAC name of (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol (CID 161435417) is (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol.
What is the SMILES notation for (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol?
The canonical SMILES for (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol is C[Si](C)(C)[C@@](O)(CN)Oc1ccc(CCl)cc1.
What is the InChIKey of (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol?
The InChIKey is VYOSEJQSSSUKNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20ClNO2Si/c1-17(2,3)12(15,9-14)16-11-6-4-10(8-13)5-7-11/h4-7,15H,8-9,14H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol?
(1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol has a molecular weight of 273.84 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-[4-(chloromethyl)phenoxy]-1-trimethylsilylethanol is sourced from PubChem (CID 161435417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).