2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine

C18H27Cl2F3N2OSi — CID 123308077

IUPAC2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1(C(F)(F)F)CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H27Cl2F3N2OSi/c1-4-27(5-2,6-3)26-15(16-13(19)9-24-10-14(16)20)11-25-12-17(7-8-17)18(21,22)23/h9-10,15,25H,4-8,11-12H2,1-3H3
InChIKeyIFVMTKZWXBCVDJ-UHFFFAOYSA-N
MW443.41 g/mol
LogP6.38
Rot. Bonds10

About 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine

2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine (PubChem CID 123308077) has the molecular formula C18H27Cl2F3N2OSi and a molecular weight of 443.41 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine
PubChem CID123308077
Molecular FormulaC18H27Cl2F3N2OSi
Molecular Weight443.41 g/mol
Exact Mass442.12
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine
SMILESCC[Si](CC)(CC)OC(CNCC1(C(F)(F)F)CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H27Cl2F3N2OSi/c1-4-27(5-2,6-3)26-15(16-13(19)9-24-10-14(16)20)11-25-12-17(7-8-17)18(21,22)23/h9-10,15,25H,4-8,11-12H2,1-3H3
InChIKeyIFVMTKZWXBCVDJ-UHFFFAOYSA-N
XLogP6.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.41
LogP ≤ 56.38
H-Bond Donors ≤ 51
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-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine (CID 123308077) is 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine is CC[Si](CC)(CC)OC(CNCC1(C(F)(F)F)CC1)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is IFVMTKZWXBCVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2F3N2OSi/c1-4-27(5-2,6-3)26-15(16-13(19)9-24-10-14(16)20)11-25-12-17(7-8-17)18(21,22)23/h9-10,15,25H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine?
2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 443.41 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 123308077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).