(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone

C15H22N2O — CID 113400210

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC2(C)C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-10-12(16-4)6-7-13(11)14(18)17-9-5-8-15(17,2)3/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyIIHGXDFNFZDRKI-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.05
Rot. Bonds2

About (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone (PubChem CID 113400210) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
PubChem CID113400210
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC2(C)C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-10-12(16-4)6-7-13(11)14(18)17-9-5-8-15(17,2)3/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyIIHGXDFNFZDRKI-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone (CID 113400210) is (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CCCC2(C)C)c(C)c1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone?
The InChIKey is IIHGXDFNFZDRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-10-12(16-4)6-7-13(11)14(18)17-9-5-8-15(17,2)3/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone has a molecular weight of 246.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 113400210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).