4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium

C19H24NO2+ — CID 7380149

IUPAC4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium
SMILESc1ccc(Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2/p+1
InChIKeyZWLYTGBEZLXBKP-UHFFFAOYSA-O
MW298.41 g/mol
LogP1.57
Rot. Bonds6

About 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium

4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium (PubChem CID 7380149) has the molecular formula C19H24NO2+ and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium
PubChem CID7380149
Molecular FormulaC19H24NO2+
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium
SMILESc1ccc(Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2/p+1
InChIKeyZWLYTGBEZLXBKP-UHFFFAOYSA-O
XLogP1.57
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
CID 7379859
4-(2-morpholin-4-ium-4-ylethoxy)benzonitrile
CID 7164632
1-[4-(4-benzylphenoxy)butyl]-4-ethylpiperazine-1,4-diium
CID 7479408
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2298140
1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484376
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
2-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethylazanium;bis(2,2,2-trifluoroacetate)
CID 153381477
4-(2-naphthalen-1-yloxyethyl)morpholin-4-ium
CID 7074084
4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one
CID 7379640
4-(4-benzylphenoxy)oxane
CID 142700383
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
4-[2-(3-chlorophenoxy)ethyl]morpholin-4-ium;2-hydroxy-2-oxoacetate
CID 44657389

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium (CID 7380149) is 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium is c1ccc(Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium?
The InChIKey is ZWLYTGBEZLXBKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23NO2/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2/p+1.
What are the key properties of 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium?
4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium has a molecular weight of 298.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 7380149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).