2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine

C14H20FNO2 — CID 82298475

IUPAC2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine
SMILESCOc1ccc(C2OCC(C)(C)NC2C)cc1F
InChIInChI=1S/C14H20FNO2/c1-9-13(18-8-14(2,3)16-9)10-5-6-12(17-4)11(15)7-10/h5-7,9,13,16H,8H2,1-4H3
InChIKeyNGZBIORGSAJDQB-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.66
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine

2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine (PubChem CID 82298475) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine
PubChem CID82298475
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine
SMILESCOc1ccc(C2OCC(C)(C)NC2C)cc1F
InChIInChI=1S/C14H20FNO2/c1-9-13(18-8-14(2,3)16-9)10-5-6-12(17-4)11(15)7-10/h5-7,9,13,16H,8H2,1-4H3
InChIKeyNGZBIORGSAJDQB-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine 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-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine (CID 82298475) is 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine is COc1ccc(C2OCC(C)(C)NC2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine?
The InChIKey is NGZBIORGSAJDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-13(18-8-14(2,3)16-9)10-5-6-12(17-4)11(15)7-10/h5-7,9,13,16H,8H2,1-4H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine?
2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine has a molecular weight of 253.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3,5,5-trimethylmorpholine is sourced from PubChem (CID 82298475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).