3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one

C18H24N2O — CID 82524594

IUPAC3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(C(C)C)n(C)c2=O)cc1C
InChIInChI=1S/C18H24N2O/c1-11(2)16-9-8-15(18(21)20(16)5)17(19)14-7-6-12(3)13(4)10-14/h6-11,17H,19H2,1-5H3
InChIKeyMHLLOIFHUUCWMK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.17
Rot. Bonds3

About 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one

3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one (PubChem CID 82524594) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one
PubChem CID82524594
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCc1ccc(C(N)c2ccc(C(C)C)n(C)c2=O)cc1C
InChIInChI=1S/C18H24N2O/c1-11(2)16-9-8-15(18(21)20(16)5)17(19)14-7-6-12(3)13(4)10-14/h6-11,17H,19H2,1-5H3
InChIKeyMHLLOIFHUUCWMK-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-ylpyridin-2-one
CID 82526838
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
3-[amino-(4-methoxy-3-methylphenyl)methyl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525267
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525499
3-[amino-(3,4-dimethylphenyl)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523202
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
CID 82525413
6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442346

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one (CID 82524594) is 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one is Cc1ccc(C(N)c2ccc(C(C)C)n(C)c2=O)cc1C.
What is the InChIKey of 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one?
The InChIKey is MHLLOIFHUUCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11(2)16-9-8-15(18(21)20(16)5)17(19)14-7-6-12(3)13(4)10-14/h6-11,17H,19H2,1-5H3.
What are the key properties of 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one?
3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3,4-dimethylphenyl)methyl]-1-methyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).