2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine

C20H43NO2Si4 — CID 599846

IUPAC2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine
SMILESC[Si](C)(C)Oc1ccc(CCN([Si](C)(C)C)[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C20H43NO2Si4/c1-24(2,3)21(25(4,5)6)16-15-18-13-14-19(22-26(7,8)9)20(17-18)23-27(10,11)12/h13-14,17H,15-16H2,1-12H3
InChIKeyBRVMRZRSKXNTSK-UHFFFAOYSA-N
MW441.91 g/mol
LogP6.63
Rot. Bonds9

About 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine

2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine (PubChem CID 599846) has the molecular formula C20H43NO2Si4 and a molecular weight of 441.91 g/mol. Its IUPAC name is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine.

Molecular Properties

Compound Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine
PubChem CID599846
Molecular FormulaC20H43NO2Si4
Molecular Weight441.91 g/mol
Exact Mass441.24
IUPAC Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine
SMILESC[Si](C)(C)Oc1ccc(CCN([Si](C)(C)C)[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C20H43NO2Si4/c1-24(2,3)21(25(4,5)6)16-15-18-13-14-19(22-26(7,8)9)20(17-18)23-27(10,11)12/h13-14,17H,15-16H2,1-12H3
InChIKeyBRVMRZRSKXNTSK-UHFFFAOYSA-N
XLogP6.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.91
LogP ≤ 56.63
H-Bond Donors ≤ 50
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-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine?
The IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine (CID 599846) is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine.
What is the SMILES notation for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine?
The canonical SMILES for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine is C[Si](C)(C)Oc1ccc(CCN([Si](C)(C)C)[Si](C)(C)C)cc1O[Si](C)(C)C.
What is the InChIKey of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine?
The InChIKey is BRVMRZRSKXNTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2Si4/c1-24(2,3)21(25(4,5)6)16-15-18-13-14-19(22-26(7,8)9)20(17-18)23-27(10,11)12/h13-14,17H,15-16H2,1-12H3.
What are the key properties of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine?
2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine has a molecular weight of 441.91 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N,N-bis(trimethylsilyl)ethanamine is sourced from PubChem (CID 599846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).