2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine

C21H24F3NO2 — CID 23458321

IUPAC2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H24F3NO2/c1-15(2)25-12-13-26-19(14-25)20(27-18-6-4-3-5-7-18)16-8-10-17(11-9-16)21(22,23)24/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyPVBYPCNFOLUSJN-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.93
Rot. Bonds5

About 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine

2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine (PubChem CID 23458321) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine
PubChem CID23458321
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H24F3NO2/c1-15(2)25-12-13-26-19(14-25)20(27-18-6-4-3-5-7-18)16-8-10-17(11-9-16)21(22,23)24/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyPVBYPCNFOLUSJN-UHFFFAOYSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
CID 23458335
2-[(2-methoxyphenyl)-phenoxymethyl]-4-propan-2-ylmorpholine
CID 23458442
2-[(4-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]-4-methylmorpholine
CID 23458263
(2R)-2-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-1-ol
CID 68971762
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
2-[1H-inden-1-yloxy(phenyl)methyl]-4-propan-2-ylmorpholine
CID 57125662
2-[(4-ethoxyphenyl)-[4-(trifluoromethyl)phenoxy]methyl]morpholine
CID 23458466
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 64534290
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477
(2-phenylcyclopropyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 116517749
2-[3-[4-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 154287849
2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 23458462

Frequently Asked Questions

What is the IUPAC name of 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine (CID 23458321) is 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is PVBYPCNFOLUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-15(2)25-12-13-26-19(14-25)20(27-18-6-4-3-5-7-18)16-8-10-17(11-9-16)21(22,23)24/h3-11,15,19-20H,12-14H2,1-2H3.
What are the key properties of 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine?
2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 379.42 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenoxy-[4-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 23458321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).