2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde

C13H17NO2Si — CID 178068399

IUPAC2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCOc1cc(N)c(C=O)cc1C#C[Si](C)(C)C
InChIInChI=1S/C13H17NO2Si/c1-16-13-8-12(14)11(9-15)7-10(13)5-6-17(2,3)4/h7-9H,14H2,1-4H3
InChIKeyRVKGTCBAWDGMRG-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde

2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde (PubChem CID 178068399) has the molecular formula C13H17NO2Si and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde.

Molecular Properties

Compound Name2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
PubChem CID178068399
Molecular FormulaC13H17NO2Si
Molecular Weight247.37 g/mol
Exact Mass247.10
IUPAC Name2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
SMILESCOc1cc(N)c(C=O)cc1C#C[Si](C)(C)C
InChIInChI=1S/C13H17NO2Si/c1-16-13-8-12(14)11(9-15)7-10(13)5-6-17(2,3)4/h7-9H,14H2,1-4H3
InChIKeyRVKGTCBAWDGMRG-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
CID 141367540
4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 166491922
5-ethynyl-2,4-dimethoxybenzaldehyde
CID 102448041
2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
CID 142387759
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
4-(2-trimethylsilylethynyl)furan-3-carbaldehyde
CID 12866672
2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
CID 172541807
6-amino-4-methoxypyridine-3-carbaldehyde
CID 168943047

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
The IUPAC name of 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde (CID 178068399) is 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde.
What is the SMILES notation for 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
The canonical SMILES for 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde is COc1cc(N)c(C=O)cc1C#C[Si](C)(C)C.
What is the InChIKey of 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
The InChIKey is RVKGTCBAWDGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2Si/c1-16-13-8-12(14)11(9-15)7-10(13)5-6-17(2,3)4/h7-9H,14H2,1-4H3.
What are the key properties of 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde?
2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde has a molecular weight of 247.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde is sourced from PubChem (CID 178068399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).