N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide

C18H30F2N2OSi — CID 58214434

IUPACN'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(OCCC[Si](C)(C)C)cc1C
InChIInChI=1S/C18H30F2N2OSi/c1-7-22(3)13-21-16-12-15(18(19)20)17(11-14(16)2)23-9-8-10-24(4,5)6/h11-13,18H,7-10H2,1-6H3/b21-13+
InChIKeySURYGMYUVAMSRO-FYJGNVAPSA-N
MW356.53 g/mol
LogP5.65
Rot. Bonds9

About N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214434) has the molecular formula C18H30F2N2OSi and a molecular weight of 356.53 g/mol. Its IUPAC name is N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214434
Molecular FormulaC18H30F2N2OSi
Molecular Weight356.53 g/mol
Exact Mass356.21
IUPAC NameN'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(OCCC[Si](C)(C)C)cc1C
InChIInChI=1S/C18H30F2N2OSi/c1-7-22(3)13-21-16-12-15(18(19)20)17(11-14(16)2)23-9-8-10-24(4,5)6/h11-13,18H,7-10H2,1-6H3/b21-13+
InChIKeySURYGMYUVAMSRO-FYJGNVAPSA-N
XLogP5.65
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide (CID 58214434) is N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C(F)F)c(OCCC[Si](C)(C)C)cc1C.
What is the InChIKey of N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is SURYGMYUVAMSRO-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H30F2N2OSi/c1-7-22(3)13-21-16-12-15(18(19)20)17(11-14(16)2)23-9-8-10-24(4,5)6/h11-13,18H,7-10H2,1-6H3/b21-13+.
What are the key properties of N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 356.53 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(difluoromethyl)-2-methyl-4-(3-trimethylsilylpropoxy)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).