2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine

C15H25NO3Si — CID 167717212

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine
SMILESCC(C)(C)[Si](C)(C)Oc1c(CCN)ccc2c1OCO2
InChIInChI=1S/C15H25NO3Si/c1-15(2,3)20(4,5)19-13-11(8-9-16)6-7-12-14(13)18-10-17-12/h6-7H,8-10,16H2,1-5H3
InChIKeyNABRMPVKMJSQID-UHFFFAOYSA-N
MW295.46 g/mol
LogP3.30
Rot. Bonds4

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine

2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine (PubChem CID 167717212) has the molecular formula C15H25NO3Si and a molecular weight of 295.46 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine
PubChem CID167717212
Molecular FormulaC15H25NO3Si
Molecular Weight295.46 g/mol
Exact Mass295.16
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine
SMILESCC(C)(C)[Si](C)(C)Oc1c(CCN)ccc2c1OCO2
InChIInChI=1S/C15H25NO3Si/c1-15(2,3)20(4,5)19-13-11(8-9-16)6-7-12-14(13)18-10-17-12/h6-7H,8-10,16H2,1-5H3
InChIKeyNABRMPVKMJSQID-UHFFFAOYSA-N
XLogP3.30
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine (CID 167717212) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine is CC(C)(C)[Si](C)(C)Oc1c(CCN)ccc2c1OCO2.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine?
The InChIKey is NABRMPVKMJSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3Si/c1-15(2,3)20(4,5)19-13-11(8-9-16)6-7-12-14(13)18-10-17-12/h6-7H,8-10,16H2,1-5H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine?
2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine has a molecular weight of 295.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine is sourced from PubChem (CID 167717212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).