2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine

C16H31NO2Si2 — CID 12571851

IUPAC2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine
SMILESCOc1ccc(CCN([Si](C)(C)C)[Si](C)(C)C)cc1OC
InChIInChI=1S/C16H31NO2Si2/c1-18-15-10-9-14(13-16(15)19-2)11-12-17(20(3,4)5)21(6,7)8/h9-10,13H,11-12H2,1-8H3
InChIKeyNUORFFQMYGHTFG-UHFFFAOYSA-N
MW325.60 g/mol
LogP4.22
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine (PubChem CID 12571851) has the molecular formula C16H31NO2Si2 and a molecular weight of 325.60 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine
PubChem CID12571851
Molecular FormulaC16H31NO2Si2
Molecular Weight325.60 g/mol
Exact Mass325.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine
SMILESCOc1ccc(CCN([Si](C)(C)C)[Si](C)(C)C)cc1OC
InChIInChI=1S/C16H31NO2Si2/c1-18-15-10-9-14(13-16(15)19-2)11-12-17(20(3,4)5)21(6,7)8/h9-10,13H,11-12H2,1-8H3
InChIKeyNUORFFQMYGHTFG-UHFFFAOYSA-N
XLogP4.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.60
LogP ≤ 54.22
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-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine (CID 12571851) is 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine is COc1ccc(CCN([Si](C)(C)C)[Si](C)(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
The InChIKey is NUORFFQMYGHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2Si2/c1-18-15-10-9-14(13-16(15)19-2)11-12-17(20(3,4)5)21(6,7)8/h9-10,13H,11-12H2,1-8H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine?
2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine has a molecular weight of 325.60 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N,N-bis(trimethylsilyl)ethanamine is sourced from PubChem (CID 12571851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).