1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone

C18H22N2O — CID 60913050

IUPAC1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCc2ccncc2)cc1C
InChIInChI=1S/C18H22N2O/c1-14-4-5-17(12-15(14)2)18(21)13-20(3)11-8-16-6-9-19-10-7-16/h4-7,9-10,12H,8,11,13H2,1-3H3
InChIKeyCKINNYKSNILPTP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.06
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone

1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone (PubChem CID 60913050) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
PubChem CID60913050
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCc2ccncc2)cc1C
InChIInChI=1S/C18H22N2O/c1-14-4-5-17(12-15(14)2)18(21)13-20(3)11-8-16-6-9-19-10-7-16/h4-7,9-10,12H,8,11,13H2,1-3H3
InChIKeyCKINNYKSNILPTP-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 60914564
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
3,4-dimethyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983707
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 54943540
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207519
1-(3,4-dihydroxyphenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65486677
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042844
2-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)prop-2-en-1-amine
CID 103067670
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone (CID 60913050) is 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone is Cc1ccc(C(=O)CN(C)CCc2ccncc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone?
The InChIKey is CKINNYKSNILPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-4-5-17(12-15(14)2)18(21)13-20(3)11-8-16-6-9-19-10-7-16/h4-7,9-10,12H,8,11,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone?
1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone has a molecular weight of 282.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone is sourced from PubChem (CID 60913050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).