2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone

C14H20N2O — CID 115005972

IUPAC2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone
SMILESCNCC(=O)c1ccccc1C1CCN(C)C1
InChIInChI=1S/C14H20N2O/c1-15-9-14(17)13-6-4-3-5-12(13)11-7-8-16(2)10-11/h3-6,11,15H,7-10H2,1-2H3
InChIKeyXWBGGFMCWCZOIY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.51
Rot. Bonds4

About 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone

2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone (PubChem CID 115005972) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone
PubChem CID115005972
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone
SMILESCNCC(=O)c1ccccc1C1CCN(C)C1
InChIInChI=1S/C14H20N2O/c1-15-9-14(17)13-6-4-3-5-12(13)11-7-8-16(2)10-11/h3-6,11,15H,7-10H2,1-2H3
InChIKeyXWBGGFMCWCZOIY-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone 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

2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
CID 115005818
2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone
CID 83832576
3-amino-1-[2-(1-methylazepan-4-yl)phenyl]propan-1-one
CID 117405758
2-(methylamino)-1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 117408476
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-(methylamino)ethanone
CID 117376223
4-(2-propanoylphenyl)piperidine-1-carboxamide
CID 67620660
(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 114601968
1-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-2-(methylamino)ethanone
CID 117384828
2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
CID 121438093
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone (CID 115005972) is 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone is CNCC(=O)c1ccccc1C1CCN(C)C1.
What is the InChIKey of 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone?
The InChIKey is XWBGGFMCWCZOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-9-14(17)13-6-4-3-5-12(13)11-7-8-16(2)10-11/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone?
2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(1-methylpyrrolidin-3-yl)phenyl]ethanone is sourced from PubChem (CID 115005972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).