4-[(4-ethoxyphenyl)methyl]morpholin-4-ium

C13H20NO2+ — CID 6942864

IUPAC4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
SMILESCCOc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-16-13-5-3-12(4-6-13)11-14-7-9-15-10-8-14/h3-6H,2,7-11H2,1H3/p+1
InChIKeyFFELNIGNBYNEQC-UHFFFAOYSA-O
MW222.31 g/mol
LogP0.50
Rot. Bonds4

About 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium

4-[(4-ethoxyphenyl)methyl]morpholin-4-ium (PubChem CID 6942864) has the molecular formula C13H20NO2+ and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
PubChem CID6942864
Molecular FormulaC13H20NO2+
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
SMILESCCOc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-16-13-5-3-12(4-6-13)11-14-7-9-15-10-8-14/h3-6H,2,7-11H2,1H3/p+1
InChIKeyFFELNIGNBYNEQC-UHFFFAOYSA-O
XLogP0.50
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
(4-ethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8695125
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2298140
1-cycloheptyl-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745774
1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 5064867
1-[(4-ethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine-1,4-diium
CID 4745692
4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
benzyl-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-methylazanium
CID 4124603
(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
1,6-bis(4-ethoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione
CID 4555483

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium (CID 6942864) is 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium is CCOc1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium?
The InChIKey is FFELNIGNBYNEQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19NO2/c1-2-16-13-5-3-12(4-6-13)11-14-7-9-15-10-8-14/h3-6H,2,7-11H2,1H3/p+1.
What are the key properties of 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium?
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium has a molecular weight of 222.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methyl]morpholin-4-ium is sourced from PubChem (CID 6942864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).