2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine

C18H37NO3Si3 — CID 631968

IUPAC2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine
SMILESCNCC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C18H37NO3Si3/c1-19-14-18(22-25(8,9)10)15-11-12-16(20-23(2,3)4)17(13-15)21-24(5,6)7/h11-13,18-19H,14H2,1-10H3
InChIKeyGXPIVEGQEQCSBV-UHFFFAOYSA-N
MW399.76 g/mol
LogP5.23
Rot. Bonds9

About 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine

2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine (PubChem CID 631968) has the molecular formula C18H37NO3Si3 and a molecular weight of 399.76 g/mol. Its IUPAC name is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine.

Molecular Properties

Compound Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine
PubChem CID631968
Molecular FormulaC18H37NO3Si3
Molecular Weight399.76 g/mol
Exact Mass399.21
IUPAC Name2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine
SMILESCNCC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C18H37NO3Si3/c1-19-14-18(22-25(8,9)10)15-11-12-16(20-23(2,3)4)17(13-15)21-24(5,6)7/h11-13,18-19H,14H2,1-10H3
InChIKeyGXPIVEGQEQCSBV-UHFFFAOYSA-N
XLogP5.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.76
LogP ≤ 55.23
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-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine?
The IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine (CID 631968) is 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine.
What is the SMILES notation for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine?
The canonical SMILES for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine is CNCC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1.
What is the InChIKey of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine?
The InChIKey is GXPIVEGQEQCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3Si3/c1-19-14-18(22-25(8,9)10)15-11-12-16(20-23(2,3)4)17(13-15)21-24(5,6)7/h11-13,18-19H,14H2,1-10H3.
What are the key properties of 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine?
2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine has a molecular weight of 399.76 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trimethylsilyloxy)phenyl]-N-methyl-2-trimethylsilyloxyethanamine is sourced from PubChem (CID 631968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).