(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine

C15H22FNO — CID 59546197

IUPAC(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine
SMILESCCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C)c1F
InChIInChI=1S/C15H22FNO/c1-5-13-6-7-14(12(4)15(13)16)17-8-10(2)18-11(3)9-17/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11+
InChIKeyRBTGIXSABDSUKL-PHIMTYICSA-N
MW251.34 g/mol
LogP3.31
Rot. Bonds2

About (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine

(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine (PubChem CID 59546197) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine
PubChem CID59546197
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine
SMILESCCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C)c1F
InChIInChI=1S/C15H22FNO/c1-5-13-6-7-14(12(4)15(13)16)17-8-10(2)18-11(3)9-17/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11+
InChIKeyRBTGIXSABDSUKL-PHIMTYICSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine 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 (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine (CID 59546197) is (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine is CCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C)c1F.
What is the InChIKey of (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine?
The InChIKey is RBTGIXSABDSUKL-PHIMTYICSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-13-6-7-14(12(4)15(13)16)17-8-10(2)18-11(3)9-17/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11+.
What are the key properties of (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine has a molecular weight of 251.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59546197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).