2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine

C20H22F3NO3 — CID 23458466

IUPAC2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine
SMILESCCOc1ccc(C(Oc2ccc(C(F)(F)F)cc2)C2CNCCO2)cc1
InChIInChI=1S/C20H22F3NO3/c1-2-25-16-7-3-14(4-8-16)19(18-13-24-11-12-26-18)27-17-9-5-15(6-10-17)20(21,22)23/h3-10,18-19,24H,2,11-13H2,1H3
InChIKeyANUOERIZQRUKML-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.21
Rot. Bonds6

About 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine

2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine (PubChem CID 23458466) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine
PubChem CID23458466
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Name2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine
SMILESCCOc1ccc(C(Oc2ccc(C(F)(F)F)cc2)C2CNCCO2)cc1
InChIInChI=1S/C20H22F3NO3/c1-2-25-16-7-3-14(4-8-16)19(18-13-24-11-12-26-18)27-17-9-5-15(6-10-17)20(21,22)23/h3-10,18-19,24H,2,11-13H2,1H3
InChIKeyANUOERIZQRUKML-UHFFFAOYSA-N
XLogP4.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 23458462
2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine
CID 23458263
2-[(2-ethoxyphenoxy)-(4-methoxyphenyl)methyl]morpholine
CID 10066040
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
2-[(4-methylphenoxy)-phenylmethyl]morpholine
CID 3029454
2-[(2-ethoxyphenoxy)-(4-methylphenyl)methyl]morpholine
CID 74337094
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine
CID 68542255
2-[(2-ethoxy-6-fluorophenoxy)-phenylmethyl]morpholine
CID 56678217
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 174902132
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine?
The IUPAC name of 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine (CID 23458466) is 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine.
What is the SMILES notation for 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine?
The canonical SMILES for 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine is CCOc1ccc(C(Oc2ccc(C(F)(F)F)cc2)C2CNCCO2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine?
The InChIKey is ANUOERIZQRUKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-2-25-16-7-3-14(4-8-16)19(18-13-24-11-12-26-18)27-17-9-5-15(6-10-17)20(21,22)23/h3-10,18-19,24H,2,11-13H2,1H3.
What are the key properties of 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine?
2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine has a molecular weight of 381.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine is sourced from PubChem (CID 23458466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).