1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one

C13H19NO2 — CID 94258495

IUPAC1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C13H19NO2/c1-3-14-10-9-13(15)11-5-7-12(8-6-11)16-4-2/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyDAOKYPBCGHVRBT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.27
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one

1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one (PubChem CID 94258495) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
PubChem CID94258495
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C13H19NO2/c1-3-14-10-9-13(15)11-5-7-12(8-6-11)16-4-2/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyDAOKYPBCGHVRBT-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)ethanone
CID 82101873
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one (CID 94258495) is 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one is CCNCCC(=O)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one?
The InChIKey is DAOKYPBCGHVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14-10-9-13(15)11-5-7-12(8-6-11)16-4-2/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one?
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one is sourced from PubChem (CID 94258495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).