2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine

C21H26FNO3 — CID 56981744

IUPAC2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
SMILESCC(C)Oc1cc(F)cc(CCOC2OCCNC2c2ccccc2)c1
InChIInChI=1S/C21H26FNO3/c1-15(2)26-19-13-16(12-18(22)14-19)8-10-24-21-20(23-9-11-25-21)17-6-4-3-5-7-17/h3-7,12-15,20-21,23H,8-11H2,1-2H3
InChIKeyVOYUPUXIEILIMU-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.86
Rot. Bonds7

About 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine

2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine (PubChem CID 56981744) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine.

Molecular Properties

Compound Name2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
PubChem CID56981744
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
SMILESCC(C)Oc1cc(F)cc(CCOC2OCCNC2c2ccccc2)c1
InChIInChI=1S/C21H26FNO3/c1-15(2)26-19-13-16(12-18(22)14-19)8-10-24-21-20(23-9-11-25-21)17-6-4-3-5-7-17/h3-7,12-15,20-21,23H,8-11H2,1-2H3
InChIKeyVOYUPUXIEILIMU-UHFFFAOYSA-N
XLogP3.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine
CID 67754493
2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 10269838
(2R,3S)-2-[2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine
CID 54551610
2-[2-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine
CID 57100259
(2R,3S)-3-(4-fluorophenyl)-2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 67760143
2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 10156343
(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 142646309
2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
CID 62718142
(2R,3S)-2,3-diphenylmorpholine
CID 56957923
(2R,3S)-2-[(1R)-1-[4-chloro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
CID 22860644
2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine
CID 67605531
3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 21348560

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The IUPAC name of 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine (CID 56981744) is 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine.
What is the SMILES notation for 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The canonical SMILES for 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine is CC(C)Oc1cc(F)cc(CCOC2OCCNC2c2ccccc2)c1.
What is the InChIKey of 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The InChIKey is VOYUPUXIEILIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-15(2)26-19-13-16(12-18(22)14-19)8-10-24-21-20(23-9-11-25-21)17-6-4-3-5-7-17/h3-7,12-15,20-21,23H,8-11H2,1-2H3.
What are the key properties of 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine has a molecular weight of 359.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine is sourced from PubChem (CID 56981744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).