2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine

C12H16FNO2 — CID 117323473

IUPAC2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
SMILESCOc1cc(C2CNCCO2)cc(F)c1C
InChIInChI=1S/C12H16FNO2/c1-8-10(13)5-9(6-11(8)15-2)12-7-14-3-4-16-12/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyZQRAEVTWCOAHSS-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.80
Rot. Bonds2

About 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine

2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine (PubChem CID 117323473) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
PubChem CID117323473
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
SMILESCOc1cc(C2CNCCO2)cc(F)c1C
InChIInChI=1S/C12H16FNO2/c1-8-10(13)5-9(6-11(8)15-2)12-7-14-3-4-16-12/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyZQRAEVTWCOAHSS-UHFFFAOYSA-N
XLogP1.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile
CID 117340234
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
methyl 3-fluoro-2-hydroxy-5-morpholin-2-ylbenzoate
CID 117390616
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine?
The IUPAC name of 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine (CID 117323473) is 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine?
The canonical SMILES for 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine is COc1cc(C2CNCCO2)cc(F)c1C.
What is the InChIKey of 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine?
The InChIKey is ZQRAEVTWCOAHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-10(13)5-9(6-11(8)15-2)12-7-14-3-4-16-12/h5-6,12,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine?
2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine has a molecular weight of 225.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine is sourced from PubChem (CID 117323473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).