2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine

C21H24F3NO3 — CID 23458263

IUPAC2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine
SMILESCCOc1ccc(OC(c2ccc(C(F)(F)F)cc2)C2CN(C)CCO2)cc1
InChIInChI=1S/C21H24F3NO3/c1-3-26-17-8-10-18(11-9-17)28-20(19-14-25(2)12-13-27-19)15-4-6-16(7-5-15)21(22,23)24/h4-11,19-20H,3,12-14H2,1-2H3
InChIKeySGSRILJYIRRXQX-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.55
Rot. Bonds6

About 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine

2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine (PubChem CID 23458263) has the molecular formula C21H24F3NO3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine
PubChem CID23458263
Molecular FormulaC21H24F3NO3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine
SMILESCCOc1ccc(OC(c2ccc(C(F)(F)F)cc2)C2CN(C)CCO2)cc1
InChIInChI=1S/C21H24F3NO3/c1-3-26-17-8-10-18(11-9-17)28-20(19-14-25(2)12-13-27-19)15-4-6-16(7-5-15)21(22,23)24/h4-11,19-20H,3,12-14H2,1-2H3
InChIKeySGSRILJYIRRXQX-UHFFFAOYSA-N
XLogP4.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine
CID 23458425
2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine
CID 23458466
2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine
CID 23458321
2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 23458462
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
(4-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79093138
[(4-ethoxyphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247824
1-(4-ethoxyphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 79669715
6-methyl-4-[4-(trifluoromethyl)phenyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 126565926
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
2-[(2-methoxyphenoxy)-(2-methoxyphenyl)methyl]-4-methylmorpholine
CID 23458327

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine?
The IUPAC name of 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine (CID 23458263) is 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine is CCOc1ccc(OC(c2ccc(C(F)(F)F)cc2)C2CN(C)CCO2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine?
The InChIKey is SGSRILJYIRRXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO3/c1-3-26-17-8-10-18(11-9-17)28-20(19-14-25(2)12-13-27-19)15-4-6-16(7-5-15)21(22,23)24/h4-11,19-20H,3,12-14H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine?
2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine has a molecular weight of 395.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine is sourced from PubChem (CID 23458263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).