2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine

C21H26FNO3 — CID 10269838

IUPAC2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
SMILESCC(C)Oc1cc(F)cc(C(C)OC2OCCNC2c2ccccc2)c1
InChIInChI=1S/C21H26FNO3/c1-14(2)25-19-12-17(11-18(22)13-19)15(3)26-21-20(23-9-10-24-21)16-7-5-4-6-8-16/h4-8,11-15,20-21,23H,9-10H2,1-3H3
InChIKeyFCXDRRVJPDYPGR-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.38
Rot. Bonds6

About 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine

2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine (PubChem CID 10269838) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine.

Molecular Properties

Compound Name2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
PubChem CID10269838
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
SMILESCC(C)Oc1cc(F)cc(C(C)OC2OCCNC2c2ccccc2)c1
InChIInChI=1S/C21H26FNO3/c1-14(2)25-19-12-17(11-18(22)13-19)15(3)26-21-20(23-9-10-24-21)16-7-5-4-6-8-16/h4-8,11-15,20-21,23H,9-10H2,1-3H3
InChIKeyFCXDRRVJPDYPGR-UHFFFAOYSA-N
XLogP4.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 10156343
2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 56981744
(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 142646309
(2R,3S)-2-[(1R)-1-[4-chloro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
CID 22860644
3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 21348560
(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine
CID 67754493
(2R,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholine
CID 45038412
3-[[3-phenyl-2-[1-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]ethoxy]morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135452903
2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
CID 62718142
(2R,3S)-2,3-diphenylmorpholine
CID 56957923
(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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The IUPAC name of 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine (CID 10269838) is 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine.
What is the SMILES notation for 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The canonical SMILES for 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine is CC(C)Oc1cc(F)cc(C(C)OC2OCCNC2c2ccccc2)c1.
What is the InChIKey of 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
The InChIKey is FCXDRRVJPDYPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-14(2)25-19-12-17(11-18(22)13-19)15(3)26-21-20(23-9-10-24-21)16-7-5-4-6-8-16/h4-8,11-15,20-21,23H,9-10H2,1-3H3.
What are the key properties of 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine?
2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine has a molecular weight of 359.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine is sourced from PubChem (CID 10269838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).