[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone

C12H16N2O2 — CID 63104909

IUPAC[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C12H16N2O2/c1-13(2)10-5-3-4-9(6-10)12(16)14-7-11(15)8-14/h3-6,11,15H,7-8H2,1-2H3
InChIKeyJBPPHDVJXFDBHR-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.57
Rot. Bonds2

About [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone

[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 63104909) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID63104909
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C12H16N2O2/c1-13(2)10-5-3-4-9(6-10)12(16)14-7-11(15)8-14/h3-6,11,15H,7-8H2,1-2H3
InChIKeyJBPPHDVJXFDBHR-UHFFFAOYSA-N
XLogP0.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)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

azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 156604295
[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-[3-(dimethylamino)phenyl]phenyl]methanone
CID 156608777
(3R,4S)-1-[3-(dimethylamino)benzoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 133113295
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[3-(dimethylamino)phenyl]methanone
CID 43596235
[3-(dimethylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63762514
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
4-[3-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66085493
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone (CID 63104909) is [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone is CN(C)c1cccc(C(=O)N2CC(O)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is JBPPHDVJXFDBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13(2)10-5-3-4-9(6-10)12(16)14-7-11(15)8-14/h3-6,11,15H,7-8H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 63104909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).