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

C14H20N2O — CID 63217932

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H20N2O/c1-14(2)9-6-10-16(14)13(17)11-7-4-5-8-12(11)15-3/h4-5,7-8,15H,6,9-10H2,1-3H3
InChIKeyYQBNEKOATRYUBJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.74
Rot. Bonds2

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

(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone (PubChem CID 63217932) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
PubChem CID63217932
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H20N2O/c1-14(2)9-6-10-16(14)13(17)11-7-4-5-8-12(11)15-3/h4-5,7-8,15H,6,9-10H2,1-3H3
InChIKeyYQBNEKOATRYUBJ-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
CID 63218887
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210
(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
CID 154753164
(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641276
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833695
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63215793
(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 63218627
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone (CID 63217932) is (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone is CNc1ccccc1C(=O)N1CCCC1(C)C.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone?
The InChIKey is YQBNEKOATRYUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)9-6-10-16(14)13(17)11-7-4-5-8-12(11)15-3/h4-5,7-8,15H,6,9-10H2,1-3H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone has a molecular weight of 232.33 g/mol, XLogP of 2.74, 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-(methylamino)phenyl]methanone is sourced from PubChem (CID 63217932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).