1-[4-(propylamino)phenyl]ethanone

C11H15NO — CID 7304598

IUPAC1-[4-(propylamino)phenyl]ethanone
SMILESCCCNc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H15NO/c1-3-8-12-11-6-4-10(5-7-11)9(2)13/h4-7,12H,3,8H2,1-2H3
InChIKeyXLKDSYHBEKKNKX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.71
Rot. Bonds4

About 1-[4-(propylamino)phenyl]ethanone

1-[4-(propylamino)phenyl]ethanone (PubChem CID 7304598) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[4-(propylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(propylamino)phenyl]ethanone
PubChem CID7304598
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-[4-(propylamino)phenyl]ethanone
SMILESCCCNc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H15NO/c1-3-8-12-11-6-4-10(5-7-11)9(2)13/h4-7,12H,3,8H2,1-2H3
InChIKeyXLKDSYHBEKKNKX-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
CID 114468465
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
[4-(propylamino)phenyl] acetate
CID 82532444
N-pentyl-4-(propylamino)benzamide
CID 62185567
[4-(propylamino)phenyl]urea
CID 43745026
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(propylamino)phenyl]ethanone (CID 7304598) is 1-[4-(propylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(propylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(propylamino)phenyl]ethanone is CCCNc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(propylamino)phenyl]ethanone?
The InChIKey is XLKDSYHBEKKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-8-12-11-6-4-10(5-7-11)9(2)13/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 1-[4-(propylamino)phenyl]ethanone?
1-[4-(propylamino)phenyl]ethanone has a molecular weight of 177.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)phenyl]ethanone is sourced from PubChem (CID 7304598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).