1-[4-(2-cyclobutylethylamino)phenyl]ethanone

C14H19NO — CID 114468462

IUPAC1-[4-(2-cyclobutylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCC2CCC2)cc1
InChIInChI=1S/C14H19NO/c1-11(16)13-5-7-14(8-6-13)15-10-9-12-3-2-4-12/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyRNABJFQJGLVOQW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.49
Rot. Bonds5

About 1-[4-(2-cyclobutylethylamino)phenyl]ethanone

1-[4-(2-cyclobutylethylamino)phenyl]ethanone (PubChem CID 114468462) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(2-cyclobutylethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclobutylethylamino)phenyl]ethanone
PubChem CID114468462
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(2-cyclobutylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCC2CCC2)cc1
InChIInChI=1S/C14H19NO/c1-11(16)13-5-7-14(8-6-13)15-10-9-12-3-2-4-12/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyRNABJFQJGLVOQW-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 835633
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1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
CID 107419214
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
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CID 59230003
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
N-(2-cyclopentylethyl)-4-(trifluoromethylsulfonyl)aniline
CID 63536611
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95152526

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclobutylethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(2-cyclobutylethylamino)phenyl]ethanone (CID 114468462) is 1-[4-(2-cyclobutylethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-cyclobutylethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-cyclobutylethylamino)phenyl]ethanone is CC(=O)c1ccc(NCCC2CCC2)cc1.
What is the InChIKey of 1-[4-(2-cyclobutylethylamino)phenyl]ethanone?
The InChIKey is RNABJFQJGLVOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(16)13-5-7-14(8-6-13)15-10-9-12-3-2-4-12/h5-8,12,15H,2-4,9-10H2,1H3.
What are the key properties of 1-[4-(2-cyclobutylethylamino)phenyl]ethanone?
1-[4-(2-cyclobutylethylamino)phenyl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclobutylethylamino)phenyl]ethanone is sourced from PubChem (CID 114468462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).