[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone

C14H20N2O — CID 110472052

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C14H20N2O/c1-11-6-4-5-7-13(11)14(17)16-9-8-12(10-16)15(2)3/h4-7,12H,8-10H2,1-3H3
InChIKeyPADYWMKQSXPART-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.77
Rot. Bonds2

About [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone

[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 110472052) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
PubChem CID110472052
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C14H20N2O/c1-11-6-4-5-7-13(11)14(17)16-9-8-12(10-16)15(2)3/h4-7,12H,8-10H2,1-3H3
InChIKeyPADYWMKQSXPART-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(3-bromo-2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 113362425
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95782192
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[3-(dimethylamino)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63528357

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone (CID 110472052) is [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is PADYWMKQSXPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-4-5-7-13(11)14(17)16-9-8-12(10-16)15(2)3/h4-7,12H,8-10H2,1-3H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 110472052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).