1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one

C21H27NO2 — CID 3275

IUPAC1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one
SMILESCCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
InChIKeyOEGDFSLNGABBKJ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.22
Rot. Bonds10

About 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one

1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one (PubChem CID 3275) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one
PubChem CID3275
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one
SMILESCCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3
InChIKeyOEGDFSLNGABBKJ-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propafenone
CID 4932
Flavoxate
CID 3354
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
Propafenone Hydrochloride
CID 36708
Methantheline
CID 4097
Flavoxate Hydrochloride
CID 441345
2'-Methoxyflavone
CID 146492
Propafenone, (R)-
CID 184819
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
(3E)-2,3-Dihydro-3-(phenylmethylene)-4H-1-benzopyran-4-one
CID 6364799
(E)-2-Styrylchromone
CID 754332
2-Morpholin-4-yl-8-phenylchromen-4-one;hydrochloride
CID 11957589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one (CID 3275) is 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one is CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one?
The InChIKey is OEGDFSLNGABBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3.
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one?
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one has a molecular weight of 325.45 g/mol, XLogP of 4.22, 10 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]-3-phenylpropan-1-one is sourced from PubChem (CID 3275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).