2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine

C12H19FN2O2 — CID 118162514

IUPAC2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCOC(CNCc1cccc(F)n1)OCC
InChIInChI=1S/C12H19FN2O2/c1-3-16-12(17-4-2)9-14-8-10-6-5-7-11(13)15-10/h5-7,12,14H,3-4,8-9H2,1-2H3
InChIKeyXOGYEQGEEISWDY-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.71
Rot. Bonds8

About 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine

2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine (PubChem CID 118162514) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine
PubChem CID118162514
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine
SMILESCCOC(CNCc1cccc(F)n1)OCC
InChIInChI=1S/C12H19FN2O2/c1-3-16-12(17-4-2)9-14-8-10-6-5-7-11(13)15-10/h5-7,12,14H,3-4,8-9H2,1-2H3
InChIKeyXOGYEQGEEISWDY-UHFFFAOYSA-N
XLogP1.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine (CID 118162514) is 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine is CCOC(CNCc1cccc(F)n1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine?
The InChIKey is XOGYEQGEEISWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-3-16-12(17-4-2)9-14-8-10-6-5-7-11(13)15-10/h5-7,12,14H,3-4,8-9H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine?
2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine has a molecular weight of 242.29 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(6-fluoro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 118162514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).