3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one

C18H24N2O — CID 82520282

IUPAC3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(-c2ccc(C(C)N)c(=O)n2C(C)C)c(C)c1
InChIInChI=1S/C18H24N2O/c1-11(2)20-17(9-8-16(14(5)19)18(20)21)15-7-6-12(3)10-13(15)4/h6-11,14H,19H2,1-5H3
InChIKeyXUJGBVNQATZPQE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.73
Rot. Bonds3

About 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one

3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82520282) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
PubChem CID82520282
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(-c2ccc(C(C)N)c(=O)n2C(C)C)c(C)c1
InChIInChI=1S/C18H24N2O/c1-11(2)20-17(9-8-16(14(5)19)18(20)21)15-7-6-12(3)10-13(15)4/h6-11,14H,19H2,1-5H3
InChIKeyXUJGBVNQATZPQE-UHFFFAOYSA-N
XLogP3.73
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one (CID 82520282) is 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one is Cc1ccc(-c2ccc(C(C)N)c(=O)n2C(C)C)c(C)c1.
What is the InChIKey of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is XUJGBVNQATZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11(2)20-17(9-8-16(14(5)19)18(20)21)15-7-6-12(3)10-13(15)4/h6-11,14H,19H2,1-5H3.
What are the key properties of 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-(2,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82520282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).