5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one

C15H18N2O — CID 134258642

IUPAC5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc([C@@H](C)N)cc2)cn(C)c1=O
InChIInChI=1S/C15H18N2O/c1-10-8-14(9-17(3)15(10)18)13-6-4-12(5-7-13)11(2)16/h4-9,11H,16H2,1-3H3/t11-/m1/s1
InChIKeyKQAQSBFWDKNOBT-LLVKDONJSA-N
MW242.32 g/mol
LogP2.38
Rot. Bonds2

About 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one

5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one (PubChem CID 134258642) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
PubChem CID134258642
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc([C@@H](C)N)cc2)cn(C)c1=O
InChIInChI=1S/C15H18N2O/c1-10-8-14(9-17(3)15(10)18)13-6-4-12(5-7-13)11(2)16/h4-9,11H,16H2,1-3H3/t11-/m1/s1
InChIKeyKQAQSBFWDKNOBT-LLVKDONJSA-N
XLogP2.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258559
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
4-[4-[(1R)-1-aminoethyl]phenyl]-2-methylisoquinolin-1-one
CID 134258771
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine
CID 165135050
5-[4-hydrazinyl-3-(1-methoxypropan-2-ylamino)phenyl]-1,3-dimethylpyridin-2-one
CID 126582851
5-[4-amino-3-[[(2S)-1-ethoxypropan-2-yl]amino]phenyl]-1,3-dimethylpyridin-2-one
CID 126582765
5-amino-1,3-dimethylpyridin-2-one
CID 67456616
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
CID 126572990
5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one
CID 130371266
1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
CID 157180048
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one (CID 134258642) is 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc([C@@H](C)N)cc2)cn(C)c1=O.
What is the InChIKey of 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is KQAQSBFWDKNOBT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-8-14(9-17(3)15(10)18)13-6-4-12(5-7-13)11(2)16/h4-9,11H,16H2,1-3H3/t11-/m1/s1.
What are the key properties of 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one?
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134258642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).