1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one

C17H22N2O — CID 62880658

IUPAC1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
SMILESCCCc1ccc(C(Cn2ccc(=O)cc2)NC)cc1
InChIInChI=1S/C17H22N2O/c1-3-4-14-5-7-15(8-6-14)17(18-2)13-19-11-9-16(20)10-12-19/h5-12,17-18H,3-4,13H2,1-2H3
InChIKeyAXFQRDBIOUDNED-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.76
Rot. Bonds6

About 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one

1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one (PubChem CID 62880658) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
PubChem CID62880658
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
SMILESCCCc1ccc(C(Cn2ccc(=O)cc2)NC)cc1
InChIInChI=1S/C17H22N2O/c1-3-4-14-5-7-15(8-6-14)17(18-2)13-19-11-9-16(20)10-12-19/h5-12,17-18H,3-4,13H2,1-2H3
InChIKeyAXFQRDBIOUDNED-UHFFFAOYSA-N
XLogP2.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one
CID 63172597
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879646
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one
CID 63768833
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80579849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one (CID 62880658) is 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one is CCCc1ccc(C(Cn2ccc(=O)cc2)NC)cc1.
What is the InChIKey of 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one?
The InChIKey is AXFQRDBIOUDNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-14-5-7-15(8-6-14)17(18-2)13-19-11-9-16(20)10-12-19/h5-12,17-18H,3-4,13H2,1-2H3.
What are the key properties of 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one?
1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one has a molecular weight of 270.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one is sourced from PubChem (CID 62880658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).