2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone

C18H28N2O — CID 81465416

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2CC(C)C(N(C)C)C2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-12-7-13(2)18(14(3)8-12)17(21)11-20-9-15(4)16(10-20)19(5)6/h7-8,15-16H,9-11H2,1-6H3
InChIKeyWFNPLZZYEXCLLV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.68
Rot. Bonds4

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 81465416) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID81465416
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2CC(C)C(N(C)C)C2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-12-7-13(2)18(14(3)8-12)17(21)11-20-9-15(4)16(10-20)19(5)6/h7-8,15-16H,9-11H2,1-6H3
InChIKeyWFNPLZZYEXCLLV-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
CID 81475274
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115560594
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81452037
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one
CID 81474781
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanethioamide
CID 81465494
4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
CID 94283320
1-[2-amino-2-(2,4-dimethylphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464731
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
CID 81464871
3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione
CID 62024199
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone (CID 81465416) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN2CC(C)C(N(C)C)C2)c(C)c1.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is WFNPLZZYEXCLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-7-13(2)18(14(3)8-12)17(21)11-20-9-15(4)16(10-20)19(5)6/h7-8,15-16H,9-11H2,1-6H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 81465416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).