2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine

C16H25NO3Si — CID 171919993

IUPAC2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine
SMILESCOc1cc(CCN)c(C#C[Si](C)(C)C)c(OC)c1OC
InChIInChI=1S/C16H25NO3Si/c1-18-14-11-12(7-9-17)13(8-10-21(4,5)6)15(19-2)16(14)20-3/h11H,7,9,17H2,1-6H3
InChIKeyXYSRNZLKTNSNIM-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.44
Rot. Bonds5

About 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine

2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine (PubChem CID 171919993) has the molecular formula C16H25NO3Si and a molecular weight of 307.47 g/mol. Its IUPAC name is 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine
PubChem CID171919993
Molecular FormulaC16H25NO3Si
Molecular Weight307.47 g/mol
Exact Mass307.16
IUPAC Name2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine
SMILESCOc1cc(CCN)c(C#C[Si](C)(C)C)c(OC)c1OC
InChIInChI=1S/C16H25NO3Si/c1-18-14-11-12(7-9-17)13(8-10-21(4,5)6)15(19-2)16(14)20-3/h11H,7,9,17H2,1-6H3
InChIKeyXYSRNZLKTNSNIM-UHFFFAOYSA-N
XLogP2.44
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
2-(2,5-dimethoxy-4-prop-1-ynylphenyl)ethanamine
CID 171652322
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
CID 162461406
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008116
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(4-ethynyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
CID 76967015
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656

Frequently Asked Questions

What is the IUPAC name of 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine?
The IUPAC name of 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine (CID 171919993) is 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine?
The canonical SMILES for 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine is COc1cc(CCN)c(C#C[Si](C)(C)C)c(OC)c1OC.
What is the InChIKey of 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine?
The InChIKey is XYSRNZLKTNSNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3Si/c1-18-14-11-12(7-9-17)13(8-10-21(4,5)6)15(19-2)16(14)20-3/h11H,7,9,17H2,1-6H3.
What are the key properties of 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine?
2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine has a molecular weight of 307.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4,5-trimethoxy-2-(2-trimethylsilylethynyl)phenyl]ethanamine is sourced from PubChem (CID 171919993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).