1-[4-(diethylamino)-3-methylphenyl]ethanone

C13H19NO — CID 82054352

IUPAC1-[4-(diethylamino)-3-methylphenyl]ethanone
SMILESCCN(CC)c1ccc(C(C)=O)cc1C
InChIInChI=1S/C13H19NO/c1-5-14(6-2)13-8-7-12(11(4)15)9-10(13)3/h7-9H,5-6H2,1-4H3
InChIKeyMGQXJJCTOIRCKK-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-(diethylamino)-3-methylphenyl]ethanone

1-[4-(diethylamino)-3-methylphenyl]ethanone (PubChem CID 82054352) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[4-(diethylamino)-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)-3-methylphenyl]ethanone
PubChem CID82054352
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[4-(diethylamino)-3-methylphenyl]ethanone
SMILESCCN(CC)c1ccc(C(C)=O)cc1C
InChIInChI=1S/C13H19NO/c1-5-14(6-2)13-8-7-12(11(4)15)9-10(13)3/h7-9H,5-6H2,1-4H3
InChIKeyMGQXJJCTOIRCKK-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-(diethylamino)-3-methylphenyl]ethanone (CID 82054352) is 1-[4-(diethylamino)-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(diethylamino)-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(diethylamino)-3-methylphenyl]ethanone is CCN(CC)c1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-[4-(diethylamino)-3-methylphenyl]ethanone?
The InChIKey is MGQXJJCTOIRCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-14(6-2)13-8-7-12(11(4)15)9-10(13)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)-3-methylphenyl]ethanone?
1-[4-(diethylamino)-3-methylphenyl]ethanone has a molecular weight of 205.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-3-methylphenyl]ethanone is sourced from PubChem (CID 82054352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).