3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride

C21H22ClNO2 — CID 3031057

IUPAC3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1.Cl
InChIInChI=1S/C21H21NO2.ClH/c1-22(2)14-13-19(23)18-15-20(16-9-5-3-6-10-16)24-21(18)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H
InChIKeyHMCAPRJGFPJSBO-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.17
Rot. Bonds6

About 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride

3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride (PubChem CID 3031057) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride
PubChem CID3031057
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1.Cl
InChIInChI=1S/C21H21NO2.ClH/c1-22(2)14-13-19(23)18-15-20(16-9-5-3-6-10-16)24-21(18)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H
InChIKeyHMCAPRJGFPJSBO-UHFFFAOYSA-N
XLogP5.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride (CID 3031057) is 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride is CN(C)CCC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride?
The InChIKey is HMCAPRJGFPJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2.ClH/c1-22(2)14-13-19(23)18-15-20(16-9-5-3-6-10-16)24-21(18)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride?
3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2,5-diphenylfuran-3-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 3031057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).