3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one

C16H20N2O2 — CID 82525489

IUPAC3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
SMILESCOc1ccc(C)cc1C(N)c1ccc(C)n(C)c1=O
InChIInChI=1S/C16H20N2O2/c1-10-5-8-14(20-4)13(9-10)15(17)12-7-6-11(2)18(3)16(12)19/h5-9,15H,17H2,1-4H3
InChIKeyGXKQVHNYMNHOGB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.06
Rot. Bonds3

About 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one

3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one (PubChem CID 82525489) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
PubChem CID82525489
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
SMILESCOc1ccc(C)cc1C(N)c1ccc(C)n(C)c1=O
InChIInChI=1S/C16H20N2O2/c1-10-5-8-14(20-4)13(9-10)15(17)12-7-6-11(2)18(3)16(12)19/h5-9,15H,17H2,1-4H3
InChIKeyGXKQVHNYMNHOGB-UHFFFAOYSA-N
XLogP2.06
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
CID 82526973
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525499
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178956
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526362

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one (CID 82525489) is 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one is COc1ccc(C)cc1C(N)c1ccc(C)n(C)c1=O.
What is the InChIKey of 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one?
The InChIKey is GXKQVHNYMNHOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-5-8-14(20-4)13(9-10)15(17)12-7-6-11(2)18(3)16(12)19/h5-9,15H,17H2,1-4H3.
What are the key properties of 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one?
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 82525489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).