2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine

C15H25Cl2NOSi — CID 66895829

IUPAC2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CCN)cc(Cl)c1Cl
InChIInChI=1S/C15H25Cl2NOSi/c1-15(2,3)20(4,5)19-10-12-8-11(6-7-18)9-13(16)14(12)17/h8-9H,6-7,10,18H2,1-5H3
InChIKeyOPQCZUJEDILWGS-UHFFFAOYSA-N
MW334.36 g/mol
LogP5.02
Rot. Bonds5

About 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine

2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine (PubChem CID 66895829) has the molecular formula C15H25Cl2NOSi and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine
PubChem CID66895829
Molecular FormulaC15H25Cl2NOSi
Molecular Weight334.36 g/mol
Exact Mass333.11
IUPAC Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CCN)cc(Cl)c1Cl
InChIInChI=1S/C15H25Cl2NOSi/c1-15(2,3)20(4,5)19-10-12-8-11(6-7-18)9-13(16)14(12)17/h8-9H,6-7,10,18H2,1-5H3
InChIKeyOPQCZUJEDILWGS-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine?
The IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine (CID 66895829) is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine.
What is the SMILES notation for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine?
The canonical SMILES for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine is CC(C)(C)[Si](C)(C)OCc1cc(CCN)cc(Cl)c1Cl.
What is the InChIKey of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine?
The InChIKey is OPQCZUJEDILWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2NOSi/c1-15(2,3)20(4,5)19-10-12-8-11(6-7-18)9-13(16)14(12)17/h8-9H,6-7,10,18H2,1-5H3.
What are the key properties of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine?
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine has a molecular weight of 334.36 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethanamine is sourced from PubChem (CID 66895829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).