[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

C15H22N2O2 — CID 82829048

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H22N2O2/c1-10-8-17(9-13(10)16(3)4)15(19)12-6-5-7-14(18)11(12)2/h5-7,10,13,18H,8-9H2,1-4H3
InChIKeyRQOOKJZZTPLWQR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.72
Rot. Bonds2

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82829048) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82829048
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H22N2O2/c1-10-8-17(9-13(10)16(3)4)15(19)12-6-5-7-14(18)11(12)2/h5-7,10,13,18H,8-9H2,1-4H3
InChIKeyRQOOKJZZTPLWQR-UHFFFAOYSA-N
XLogP1.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone 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-amino-3-methylphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81458828
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
(2-chloro-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026054
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104615194
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026063
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-fluoro-2-(methylamino)phenyl]methanone
CID 81475543
(2-chlorofuran-3-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 106687066
(2S)-8-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 129470978
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 102937779
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 71927981

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 82829048) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is RQOOKJZZTPLWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-17(9-13(10)16(3)4)15(19)12-6-5-7-14(18)11(12)2/h5-7,10,13,18H,8-9H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82829048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).