2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)

C18H24F6N2O6 — CID 153381477

IUPAC2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]CCc1ccc(OCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C14H22N2O2.2C2HF3O2/c15-6-5-13-1-3-14(4-2-13)18-12-9-16-7-10-17-11-8-16;2*3-2(4,5)1(6)7/h1-4H,5-12,15H2;2*(H,6,7)
InChIKeyULNLQQSVKVPDES-UHFFFAOYSA-N
MW478.39 g/mol
LogP-2.64
Rot. Bonds6

About 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)

2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate) (PubChem CID 153381477) has the molecular formula C18H24F6N2O6 and a molecular weight of 478.39 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)
PubChem CID153381477
Molecular FormulaC18H24F6N2O6
Molecular Weight478.39 g/mol
Exact Mass478.15
IUPAC Name2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]CCc1ccc(OCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C14H22N2O2.2C2HF3O2/c15-6-5-13-1-3-14(4-2-13)18-12-9-16-7-10-17-11-8-16;2*3-2(4,5)1(6)7/h1-4H,5-12,15H2;2*(H,6,7)
InChIKeyULNLQQSVKVPDES-UHFFFAOYSA-N
XLogP-2.64
TPSA130.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.39
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate) with MolForge

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Related Compounds

2-[4-(3-morpholin-4-ium-4-ylpropoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)
CID 153381495
4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one
CID 7379640
4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium
CID 7380149
4-(2-morpholin-4-ium-4-ylethoxy)benzonitrile
CID 7164632
4-[2-(3-chlorophenoxy)ethyl]morpholin-4-ium;2-hydroxy-2-oxoacetate
CID 44657389
3-morpholin-4-ium-4-yl-1-(4-propoxyphenyl)propan-1-one
CID 7033556
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2298140
2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
2-(2-morpholin-4-ium-4-ylethoxycarbonyl)benzoate
CID 6942487
3-morpholin-4-ium-4-yl-1-(4-pentoxyphenyl)propan-1-one chloride
CID 44659622
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
2-(4-butoxyphenyl)-4-morpholin-4-ium-4-ylbutan-2-ol
CID 5179668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)?
The IUPAC name of 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate) (CID 153381477) is 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate).
What is the SMILES notation for 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)?
The canonical SMILES for 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate) is O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[NH3+]CCc1ccc(OCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)?
The InChIKey is ULNLQQSVKVPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.2C2HF3O2/c15-6-5-13-1-3-14(4-2-13)18-12-9-16-7-10-17-11-8-16;2*3-2(4,5)1(6)7/h1-4H,5-12,15H2;2*(H,6,7).
What are the key properties of 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)?
2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate) has a molecular weight of 478.39 g/mol, XLogP of -2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 153381477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).