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

C17H26N2O — CID 63207519

IUPAC1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCN2CCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-14-6-7-16(12-15(14)2)17(20)13-18(3)10-11-19-8-4-5-9-19/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyHONHFDVKYDEXIJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.51
Rot. Bonds6

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

1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (PubChem CID 63207519) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
PubChem CID63207519
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCN2CCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-14-6-7-16(12-15(14)2)17(20)13-18(3)10-11-19-8-4-5-9-19/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyHONHFDVKYDEXIJ-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
CID 60913050
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol
CID 63210893
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone (CID 63207519) is 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone is Cc1ccc(C(=O)CN(C)CCN2CCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
The InChIKey is HONHFDVKYDEXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-7-16(12-15(14)2)17(20)13-18(3)10-11-19-8-4-5-9-19/h6-7,12H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone?
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone has a molecular weight of 274.41 g/mol, XLogP of 2.51, 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-pyrrolidin-1-ylethyl)amino]ethanone is sourced from PubChem (CID 63207519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).