1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone

C14H21NO2 — CID 16583

IUPAC1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone
SMILESCCN(CC)CCOc1ccccc1C(C)=O
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)10-11-17-14-9-7-6-8-13(14)12(3)16/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMVAJSGLKBQHRCE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.61
Rot. Bonds7

About 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone

1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone (PubChem CID 16583) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone
PubChem CID16583
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone
SMILESCCN(CC)CCOc1ccccc1C(C)=O
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)10-11-17-14-9-7-6-8-13(14)12(3)16/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMVAJSGLKBQHRCE-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propafenone
CID 4932
2'-Methoxyacetophenone
CID 68481
3-Methylchromone
CID 66569
Chromanone
CID 68110
Etafenone
CID 3275
Parethoxycaine
CID 7183
Benzaldehyde, 2-ethoxy-
CID 11950
Propafenone, (R)-
CID 184819
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
Polysulfide rubber
CID 2856734
Propafenone, (S)-
CID 184820

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone (CID 16583) is 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone is CCN(CC)CCOc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone?
The InChIKey is MVAJSGLKBQHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)10-11-17-14-9-7-6-8-13(14)12(3)16/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone?
1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]phenyl]ethanone is sourced from PubChem (CID 16583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).