1-(4-aminophenyl)-3-ethoxypropan-2-one

C11H15NO2 — CID 116549423

IUPAC1-(4-aminophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3
InChIKeyIAWCQSSJKWBHKY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.42
Rot. Bonds5

About 1-(4-aminophenyl)-3-ethoxypropan-2-one

1-(4-aminophenyl)-3-ethoxypropan-2-one (PubChem CID 116549423) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-ethoxypropan-2-one
PubChem CID116549423
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(4-aminophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3
InChIKeyIAWCQSSJKWBHKY-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-ethoxypropan-2-one?
The IUPAC name of 1-(4-aminophenyl)-3-ethoxypropan-2-one (CID 116549423) is 1-(4-aminophenyl)-3-ethoxypropan-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-ethoxypropan-2-one?
The canonical SMILES for 1-(4-aminophenyl)-3-ethoxypropan-2-one is CCOCC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-ethoxypropan-2-one?
The InChIKey is IAWCQSSJKWBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-8-11(13)7-9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3.
What are the key properties of 1-(4-aminophenyl)-3-ethoxypropan-2-one?
1-(4-aminophenyl)-3-ethoxypropan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-ethoxypropan-2-one is sourced from PubChem (CID 116549423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).