N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine

C14H19NO2Si — CID 54067366

IUPACN-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine
SMILESCOc1ccc(/N=C/C#C[Si](C)(C)C)c(OC)c1
InChIInChI=1S/C14H19NO2Si/c1-16-12-7-8-13(14(11-12)17-2)15-9-6-10-18(3,4)5/h7-9,11H,1-5H3/b15-9+
InChIKeyMDYMRTBWASEVMT-OQLLNIDSSA-N
MW261.40 g/mol
LogP3.29
Rot. Bonds3

About N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine

N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine (PubChem CID 54067366) has the molecular formula C14H19NO2Si and a molecular weight of 261.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine
PubChem CID54067366
Molecular FormulaC14H19NO2Si
Molecular Weight261.40 g/mol
Exact Mass261.12
IUPAC NameN-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine
SMILESCOc1ccc(/N=C/C#C[Si](C)(C)C)c(OC)c1
InChIInChI=1S/C14H19NO2Si/c1-16-12-7-8-13(14(11-12)17-2)15-9-6-10-18(3,4)5/h7-9,11H,1-5H3/b15-9+
InChIKeyMDYMRTBWASEVMT-OQLLNIDSSA-N
XLogP3.29
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)methanimine
CID 91664646
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate
CID 101411260
N-(2,4-dimethoxyphenyl)-1-[6-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 101225444
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
2-(2,4-dimethoxyphenyl)iminopropane-1,1,3-tricarbonitrile
CID 54095535
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
CID 3798775
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide
CID 135428230
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine (CID 54067366) is N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine is COc1ccc(/N=C/C#C[Si](C)(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine?
The InChIKey is MDYMRTBWASEVMT-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H19NO2Si/c1-16-12-7-8-13(14(11-12)17-2)15-9-6-10-18(3,4)5/h7-9,11H,1-5H3/b15-9+.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine?
N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine has a molecular weight of 261.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-trimethylsilylprop-2-yn-1-imine is sourced from PubChem (CID 54067366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).