[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C11H15F3N2O2 — CID 126564818

IUPAC[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOCCOCc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C11H15F3N2O2/c1-17-4-5-18-7-9-8(6-15)2-3-10(16-9)11(12,13)14/h2-3H,4-7,15H2,1H3
InChIKeyPOWBPISDLVUYSS-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.72
Rot. Bonds6

About [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 126564818) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID126564818
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOCCOCc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C11H15F3N2O2/c1-17-4-5-18-7-9-8(6-15)2-3-10(16-9)11(12,13)14/h2-3H,4-7,15H2,1H3
InChIKeyPOWBPISDLVUYSS-UHFFFAOYSA-N
XLogP1.72
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 126564818) is [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is COCCOCc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is POWBPISDLVUYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-17-4-5-18-7-9-8(6-15)2-3-10(16-9)11(12,13)14/h2-3H,4-7,15H2,1H3.
What are the key properties of [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 264.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 126564818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).