2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine

C22H34N2OSi — CID 69157839

IUPAC2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(CCc2cccc(CCN)c2)n1
InChIInChI=1S/C22H34N2OSi/c1-22(2,3)26(4,5)25-17-21-11-7-10-20(24-21)13-12-18-8-6-9-19(16-18)14-15-23/h6-11,16H,12-15,17,23H2,1-5H3
InChIKeyCGZKVFFYSMGLRM-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.89
Rot. Bonds8

About 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine

2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine (PubChem CID 69157839) has the molecular formula C22H34N2OSi and a molecular weight of 370.61 g/mol. Its IUPAC name is 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine
PubChem CID69157839
Molecular FormulaC22H34N2OSi
Molecular Weight370.61 g/mol
Exact Mass370.24
IUPAC Name2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(CCc2cccc(CCN)c2)n1
InChIInChI=1S/C22H34N2OSi/c1-22(2,3)26(4,5)25-17-21-11-7-10-20(24-21)13-12-18-8-6-9-19(16-18)14-15-23/h6-11,16H,12-15,17,23H2,1-5H3
InChIKeyCGZKVFFYSMGLRM-UHFFFAOYSA-N
XLogP4.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine?
The IUPAC name of 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine (CID 69157839) is 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine is CC(C)(C)[Si](C)(C)OCc1cccc(CCc2cccc(CCN)c2)n1.
What is the InChIKey of 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine?
The InChIKey is CGZKVFFYSMGLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2OSi/c1-22(2,3)26(4,5)25-17-21-11-7-10-20(24-21)13-12-18-8-6-9-19(16-18)14-15-23/h6-11,16H,12-15,17,23H2,1-5H3.
What are the key properties of 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine?
2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine has a molecular weight of 370.61 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]ethyl]phenyl]ethanamine is sourced from PubChem (CID 69157839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).