2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine

C14H23ClFNOSi — CID 146156914

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESCC(C)(C)[Si](C)(C)OCC(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H23ClFNOSi/c1-14(2,3)19(4,5)18-9-13(17)10-6-7-11(15)12(16)8-10/h6-8,13H,9,17H2,1-5H3
InChIKeyXOSGUVTXBPPKIP-UHFFFAOYSA-N
MW303.88 g/mol
LogP4.50
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 146156914) has the molecular formula C14H23ClFNOSi and a molecular weight of 303.88 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID146156914
Molecular FormulaC14H23ClFNOSi
Molecular Weight303.88 g/mol
Exact Mass303.12
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESCC(C)(C)[Si](C)(C)OCC(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H23ClFNOSi/c1-14(2,3)19(4,5)18-9-13(17)10-6-7-11(15)12(16)8-10/h6-8,13H,9,17H2,1-5H3
InChIKeyXOSGUVTXBPPKIP-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine (CID 146156914) is 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine is CC(C)(C)[Si](C)(C)OCC(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is XOSGUVTXBPPKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClFNOSi/c1-14(2,3)19(4,5)18-9-13(17)10-6-7-11(15)12(16)8-10/h6-8,13H,9,17H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine has a molecular weight of 303.88 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 146156914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).