2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

C15H20FNO — CID 21314023

IUPAC2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(CCc2ccc(F)cc2)O1
InChIInChI=1S/C15H20FNO/c1-11-10-15(2,3)17-14(18-11)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyRRDPICXDMZQNFR-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.74
Rot. Bonds3

About 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 21314023) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
PubChem CID21314023
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCC1CC(C)(C)N=C(CCc2ccc(F)cc2)O1
InChIInChI=1S/C15H20FNO/c1-11-10-15(2,3)17-14(18-11)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyRRDPICXDMZQNFR-UHFFFAOYSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine 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 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (CID 21314023) is 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is CC1CC(C)(C)N=C(CCc2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is RRDPICXDMZQNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-10-15(2,3)17-14(18-11)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,11H,6,9-10H2,1-3H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 249.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 21314023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).