1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one

C15H23NO — CID 3022022

IUPAC1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one
SMILESCCN(CC)CC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C15H23NO/c1-5-16(6-2)11-14(17)10-15-12(3)8-7-9-13(15)4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyRARYMXYCNAQQGV-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.76
Rot. Bonds6

About 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one

1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one (PubChem CID 3022022) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one
PubChem CID3022022
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one
SMILESCCN(CC)CC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C15H23NO/c1-5-16(6-2)11-14(17)10-15-12(3)8-7-9-13(15)4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyRARYMXYCNAQQGV-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one (CID 3022022) is 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one is CCN(CC)CC(=O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one?
The InChIKey is RARYMXYCNAQQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16(6-2)11-14(17)10-15-12(3)8-7-9-13(15)4/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one?
1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(2,6-dimethylphenyl)propan-2-one is sourced from PubChem (CID 3022022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).