1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine

C14H18FNO — CID 165495433

IUPAC1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCCN1CCC=C(c2cccc(OC)c2F)C1
InChIInChI=1S/C14H18FNO/c1-3-16-9-5-6-11(10-16)12-7-4-8-13(17-2)14(12)15/h4,6-8H,3,5,9-10H2,1-2H3
InChIKeyOIAAAFKDZFVRLM-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.94
Rot. Bonds3

About 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine

1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 165495433) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
PubChem CID165495433
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCCN1CCC=C(c2cccc(OC)c2F)C1
InChIInChI=1S/C14H18FNO/c1-3-16-9-5-6-11(10-16)12-7-4-8-13(17-2)14(12)15/h4,6-8H,3,5,9-10H2,1-2H3
InChIKeyOIAAAFKDZFVRLM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine (CID 165495433) is 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine is CCN1CCC=C(c2cccc(OC)c2F)C1.
What is the InChIKey of 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is OIAAAFKDZFVRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-16-9-5-6-11(10-16)12-7-4-8-13(17-2)14(12)15/h4,6-8H,3,5,9-10H2,1-2H3.
What are the key properties of 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine?
1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 235.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 165495433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).