2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one

C17H26N2O — CID 119539241

IUPAC2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one
SMILESCNCC1CCN(C(=O)C(C)(C)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)17(2,3)16(20)19-10-9-14(12-19)11-18-4/h5-8,14,18H,9-12H2,1-4H3
InChIKeyCLKPQYMDCYFWPR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one

2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one (PubChem CID 119539241) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one
PubChem CID119539241
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one
SMILESCNCC1CCN(C(=O)C(C)(C)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)17(2,3)16(20)19-10-9-14(12-19)11-18-4/h5-8,14,18H,9-12H2,1-4H3
InChIKeyCLKPQYMDCYFWPR-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119395655
2-(4-chlorophenyl)-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119394762
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
2-ethyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119539919
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
2-(4-ethylphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540932
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119540335
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one (CID 119539241) is 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one is CNCC1CCN(C(=O)C(C)(C)c2ccc(C)cc2)C1.
What is the InChIKey of 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one?
The InChIKey is CLKPQYMDCYFWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)17(2,3)16(20)19-10-9-14(12-19)11-18-4/h5-8,14,18H,9-12H2,1-4H3.
What are the key properties of 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one?
2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 119539241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).