4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine

C13H18FNO2 — CID 51074764

IUPAC4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
SMILESCOc1ccc(CN2CCOC(C)C2)cc1F
InChIInChI=1S/C13H18FNO2/c1-10-8-15(5-6-17-10)9-11-3-4-13(16-2)12(14)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyLVBXPUAOGCBZSA-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.06
Rot. Bonds3

About 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine

4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine (PubChem CID 51074764) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
PubChem CID51074764
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
SMILESCOc1ccc(CN2CCOC(C)C2)cc1F
InChIInChI=1S/C13H18FNO2/c1-10-8-15(5-6-17-10)9-11-3-4-13(16-2)12(14)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyLVBXPUAOGCBZSA-UHFFFAOYSA-N
XLogP2.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
2-methoxy-5-[(2-methylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 65339348
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185
N'-hydroxy-2-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162
2-fluoro-5-[(2-methylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 114012047

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine (CID 51074764) is 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine is COc1ccc(CN2CCOC(C)C2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine?
The InChIKey is LVBXPUAOGCBZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10-8-15(5-6-17-10)9-11-3-4-13(16-2)12(14)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine?
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine has a molecular weight of 239.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine is sourced from PubChem (CID 51074764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).