4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine

C14H18FNO — CID 135082677

IUPAC4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(C)cc2F)CC1
InChIInChI=1S/C14H18FNO/c1-3-17-12-6-8-16(9-7-12)14-5-4-11(2)10-13(14)15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyZUZORPSOWDWQIA-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.26
Rot. Bonds3

About 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine

4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 135082677) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine
PubChem CID135082677
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine
SMILESCCOC1=CCN(c2ccc(C)cc2F)CC1
InChIInChI=1S/C14H18FNO/c1-3-17-12-6-8-16(9-7-12)14-5-4-11(2)10-13(14)15/h4-6,10H,3,7-9H2,1-2H3
InChIKeyZUZORPSOWDWQIA-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine (CID 135082677) is 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine is CCOC1=CCN(c2ccc(C)cc2F)CC1.
What is the InChIKey of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is ZUZORPSOWDWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-17-12-6-8-16(9-7-12)14-5-4-11(2)10-13(14)15/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine?
4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 235.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-fluoro-4-methylphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 135082677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).