1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one

C15H23NO2 — CID 161487029

IUPAC1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
SMILESCC(=O)c1ccc(N(C)C)cc1.CCC(=O)CC
InChIInChI=1S/C10H13NO.C5H10O/c1-8(12)9-4-6-10(7-5-9)11(2)3;1-3-5(6)4-2/h4-7H,1-3H3;3-4H2,1-2H3
InChIKeyWFCJTTOABJLDST-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one

1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one (PubChem CID 161487029) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
PubChem CID161487029
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
SMILESCC(=O)c1ccc(N(C)C)cc1.CCC(=O)CC
InChIInChI=1S/C10H13NO.C5H10O/c1-8(12)9-4-6-10(7-5-9)11(2)3;1-3-5(6)4-2/h4-7H,1-3H3;3-4H2,1-2H3
InChIKeyWFCJTTOABJLDST-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
CID 123268766
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one (CID 161487029) is 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one is CC(=O)c1ccc(N(C)C)cc1.CCC(=O)CC.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one?
The InChIKey is WFCJTTOABJLDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C5H10O/c1-8(12)9-4-6-10(7-5-9)11(2)3;1-3-5(6)4-2/h4-7H,1-3H3;3-4H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one?
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one has a molecular weight of 249.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one is sourced from PubChem (CID 161487029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).