2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine

C15H26ClNOSi — CID 66761587

IUPAC2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CCN)ccc1Cl
InChIInChI=1S/C15H26ClNOSi/c1-15(2,3)19(4,5)18-11-13-10-12(8-9-17)6-7-14(13)16/h6-7,10H,8-9,11,17H2,1-5H3
InChIKeyAEXAJIHPXMIXDE-UHFFFAOYSA-N
MW299.92 g/mol
LogP4.36
Rot. Bonds5

About 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine

2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine (PubChem CID 66761587) has the molecular formula C15H26ClNOSi and a molecular weight of 299.92 g/mol. Its IUPAC name is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine
PubChem CID66761587
Molecular FormulaC15H26ClNOSi
Molecular Weight299.92 g/mol
Exact Mass299.15
IUPAC Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CCN)ccc1Cl
InChIInChI=1S/C15H26ClNOSi/c1-15(2,3)19(4,5)18-11-13-10-12(8-9-17)6-7-14(13)16/h6-7,10H,8-9,11,17H2,1-5H3
InChIKeyAEXAJIHPXMIXDE-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.92
LogP ≤ 54.36
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-chlorophenyl]ethanamine?
The IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine (CID 66761587) is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine?
The canonical SMILES for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine is CC(C)(C)[Si](C)(C)OCc1cc(CCN)ccc1Cl.
What is the InChIKey of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine?
The InChIKey is AEXAJIHPXMIXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNOSi/c1-15(2,3)19(4,5)18-11-13-10-12(8-9-17)6-7-14(13)16/h6-7,10H,8-9,11,17H2,1-5H3.
What are the key properties of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine?
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]ethanamine has a molecular weight of 299.92 g/mol, XLogP of 4.36, 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-chlorophenyl]ethanamine is sourced from PubChem (CID 66761587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).