1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one

C18H22N2O — CID 62613135

IUPAC1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(C)CCc2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-3-5-17(6-4-15)18(21)10-14-20(2)13-9-16-7-11-19-12-8-16/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyQZHGXCZMBZKJKW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds7

About 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one

1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one (PubChem CID 62613135) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
PubChem CID62613135
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(C)CCc2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-15-3-5-17(6-4-15)18(21)10-14-20(2)13-9-16-7-11-19-12-8-16/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyQZHGXCZMBZKJKW-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
CID 60913050
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 60914564
N-methyl-1-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)ethenamine
CID 144801993
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
CID 66339679
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one (CID 62613135) is 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one is Cc1ccc(C(=O)CCN(C)CCc2ccncc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The InChIKey is QZHGXCZMBZKJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-3-5-17(6-4-15)18(21)10-14-20(2)13-9-16-7-11-19-12-8-16/h3-8,11-12H,9-10,13-14H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one has a molecular weight of 282.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one is sourced from PubChem (CID 62613135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).