2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine

C18H37NO2Si3 — CID 599840

IUPAC2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine
SMILESCOc1cc(CCN([Si](C)(C)C)[Si](C)(C)C)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H37NO2Si3/c1-20-18-15-16(11-12-17(18)21-24(8,9)10)13-14-19(22(2,3)4)23(5,6)7/h11-12,15H,13-14H2,1-10H3
InChIKeySBKIMCRVEDAFSR-UHFFFAOYSA-N
MW383.76 g/mol
LogP5.42
Rot. Bonds8

About 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine

2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine (PubChem CID 599840) has the molecular formula C18H37NO2Si3 and a molecular weight of 383.76 g/mol. Its IUPAC name is 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine
PubChem CID599840
Molecular FormulaC18H37NO2Si3
Molecular Weight383.76 g/mol
Exact Mass383.21
IUPAC Name2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine
SMILESCOc1cc(CCN([Si](C)(C)C)[Si](C)(C)C)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H37NO2Si3/c1-20-18-15-16(11-12-17(18)21-24(8,9)10)13-14-19(22(2,3)4)23(5,6)7/h11-12,15H,13-14H2,1-10H3
InChIKeySBKIMCRVEDAFSR-UHFFFAOYSA-N
XLogP5.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.76
LogP ≤ 55.42
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-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
The IUPAC name of 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine (CID 599840) is 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine is COc1cc(CCN([Si](C)(C)C)[Si](C)(C)C)ccc1O[Si](C)(C)C.
What is the InChIKey of 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
The InChIKey is SBKIMCRVEDAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2Si3/c1-20-18-15-16(11-12-17(18)21-24(8,9)10)13-14-19(22(2,3)4)23(5,6)7/h11-12,15H,13-14H2,1-10H3.
What are the key properties of 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine has a molecular weight of 383.76 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-trimethylsilyloxyphenyl)-N,N-bis(trimethylsilyl)ethanamine is sourced from PubChem (CID 599840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).