2-(3-acetylphenoxy)ethyl-diethylazanium

C14H22NO2+ — CID 7273681

IUPAC2-(3-acetylphenoxy)ethyl-diethylazanium
SMILESCC[NH+](CC)CCOc1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)9-10-17-14-8-6-7-13(11-14)12(3)16/h6-8,11H,4-5,9-10H2,1-3H3/p+1
InChIKeyGBWNBTWPHBYGDL-UHFFFAOYSA-O
MW236.34 g/mol
LogP1.19
Rot. Bonds7

About 2-(3-acetylphenoxy)ethyl-diethylazanium

2-(3-acetylphenoxy)ethyl-diethylazanium (PubChem CID 7273681) has the molecular formula C14H22NO2+ and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)ethyl-diethylazanium.

Molecular Properties

Compound Name2-(3-acetylphenoxy)ethyl-diethylazanium
PubChem CID7273681
Molecular FormulaC14H22NO2+
Molecular Weight236.34 g/mol
Exact Mass236.16
IUPAC Name2-(3-acetylphenoxy)ethyl-diethylazanium
SMILESCC[NH+](CC)CCOc1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)9-10-17-14-8-6-7-13(11-14)12(3)16/h6-8,11H,4-5,9-10H2,1-3H3/p+1
InChIKeyGBWNBTWPHBYGDL-UHFFFAOYSA-O
XLogP1.19
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
3-[2-(dipropylazaniumyl)ethoxy]benzoate
CID 42339456
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-[3-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115881899
1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
CID 60917043
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
1-[3-(3,3-difluorobutoxy)phenyl]ethanone
CID 84691840
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)ethyl-diethylazanium?
The IUPAC name of 2-(3-acetylphenoxy)ethyl-diethylazanium (CID 7273681) is 2-(3-acetylphenoxy)ethyl-diethylazanium.
What is the SMILES notation for 2-(3-acetylphenoxy)ethyl-diethylazanium?
The canonical SMILES for 2-(3-acetylphenoxy)ethyl-diethylazanium is CC[NH+](CC)CCOc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylphenoxy)ethyl-diethylazanium?
The InChIKey is GBWNBTWPHBYGDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)9-10-17-14-8-6-7-13(11-14)12(3)16/h6-8,11H,4-5,9-10H2,1-3H3/p+1.
What are the key properties of 2-(3-acetylphenoxy)ethyl-diethylazanium?
2-(3-acetylphenoxy)ethyl-diethylazanium has a molecular weight of 236.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)ethyl-diethylazanium is sourced from PubChem (CID 7273681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).