4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine

C23H28F3NO3 — CID 170870404

IUPAC4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H28F3NO3/c1-2-29-22-16-18(6-4-10-27-11-13-28-14-12-27)8-9-21(22)30-17-19-5-3-7-20(15-19)23(24,25)26/h3,5,7-9,15-16H,2,4,6,10-14,17H2,1H3
InChIKeyNZWYGASSYHDLPJ-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.95
Rot. Bonds9

About 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine

4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine (PubChem CID 170870404) has the molecular formula C23H28F3NO3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
PubChem CID170870404
Molecular FormulaC23H28F3NO3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H28F3NO3/c1-2-29-22-16-18(6-4-10-27-11-13-28-14-12-27)8-9-21(22)30-17-19-5-3-7-20(15-19)23(24,25)26/h3,5,7-9,15-16H,2,4,6,10-14,17H2,1H3
InChIKeyNZWYGASSYHDLPJ-UHFFFAOYSA-N
XLogP4.95
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
CID 170870173
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate
CID 59658258
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine (CID 170870404) is 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine is CCOc1cc(CCCN2CCOCC2)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine?
The InChIKey is NZWYGASSYHDLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3NO3/c1-2-29-22-16-18(6-4-10-27-11-13-28-14-12-27)8-9-21(22)30-17-19-5-3-7-20(15-19)23(24,25)26/h3,5,7-9,15-16H,2,4,6,10-14,17H2,1H3.
What are the key properties of 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine?
4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine has a molecular weight of 423.48 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine is sourced from PubChem (CID 170870404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).