4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine

C21H26FNO3 — CID 42869879

IUPAC4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
SMILESCOc1ccc(C(CCN2CCOCC2)Oc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C21H26FNO3/c1-16-15-19(7-8-20(16)22)26-21(9-10-23-11-13-25-14-12-23)17-3-5-18(24-2)6-4-17/h3-8,15,21H,9-14H2,1-2H3
InChIKeyTWTRCAPUKVGXSD-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.99
Rot. Bonds7

About 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine

4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine (PubChem CID 42869879) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
PubChem CID42869879
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
SMILESCOc1ccc(C(CCN2CCOCC2)Oc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C21H26FNO3/c1-16-15-19(7-8-20(16)22)26-21(9-10-23-11-13-25-14-12-23)17-3-5-18(24-2)6-4-17/h3-8,15,21H,9-14H2,1-2H3
InChIKeyTWTRCAPUKVGXSD-UHFFFAOYSA-N
XLogP3.99
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-fluoro-5-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine
CID 42867792
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
4-[3-(4-chlorophenyl)-3-(4-fluoro-2-methylphenoxy)propyl]morpholine
CID 42867876
4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine
CID 42867915
4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
CID 42867823
1-(3,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-3-(4-methylphenoxy)propyl]piperazine
CID 42867816
4-[3-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)propyl]morpholine
CID 42867771
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-(4-methoxyphenyl)-4-morpholin-4-ylbutan-1-amine
CID 112501198
1-benzyl-4-[3-(2-chlorophenyl)-3-(4-fluoro-3-methylphenoxy)propyl]piperazine
CID 42869875
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine (CID 42869879) is 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine is COc1ccc(C(CCN2CCOCC2)Oc2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine?
The InChIKey is TWTRCAPUKVGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-16-15-19(7-8-20(16)22)26-21(9-10-23-11-13-25-14-12-23)17-3-5-18(24-2)6-4-17/h3-8,15,21H,9-14H2,1-2H3.
What are the key properties of 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine?
4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine has a molecular weight of 359.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-3-methylphenoxy)-3-(4-methoxyphenyl)propyl]morpholine is sourced from PubChem (CID 42869879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).