3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one

C17H26N2O — CID 81474781

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H26N2O/c1-13-7-5-6-8-15(13)17(20)9-10-19-11-14(2)16(12-19)18(3)4/h5-8,14,16H,9-12H2,1-4H3
InChIKeyNGKMFUYHGCGODG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.45
Rot. Bonds5

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one (PubChem CID 81474781) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one
PubChem CID81474781
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H26N2O/c1-13-7-5-6-8-15(13)17(20)9-10-19-11-14(2)16(12-19)18(3)4/h5-8,14,16H,9-12H2,1-4H3
InChIKeyNGKMFUYHGCGODG-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)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

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one
CID 81474587
3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 102966821
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
CID 63159990
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 81465416
3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 63482480
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanethioamide
CID 81464002
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(2-methylphenyl)propan-1-one
CID 63274696
1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
CID 81475274
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-methylphenyl)propan-1-one
CID 82753538
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
(2-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81458828
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
CID 114287080

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one (CID 81474781) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCN1CC(C)C(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one?
The InChIKey is NGKMFUYHGCGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-5-6-8-15(13)17(20)9-10-19-11-14(2)16(12-19)18(3)4/h5-8,14,16H,9-12H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 81474781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).