1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol

C20H32N2O3 — CID 111488930

IUPAC1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCN(C)c1cccc(C2CCCN2CC(O)COCC2CCCO2)c1
InChIInChI=1S/C20H32N2O3/c1-21(2)17-7-3-6-16(12-17)20-9-4-10-22(20)13-18(23)14-24-15-19-8-5-11-25-19/h3,6-7,12,18-20,23H,4-5,8-11,13-15H2,1-2H3
InChIKeyLFAUJAFLJBLINN-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.45
Rot. Bonds8

About 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 111488930) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID111488930
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCN(C)c1cccc(C2CCCN2CC(O)COCC2CCCO2)c1
InChIInChI=1S/C20H32N2O3/c1-21(2)17-7-3-6-16(12-17)20-9-4-10-22(20)13-18(23)14-24-15-19-8-5-11-25-19/h3,6-7,12,18-20,23H,4-5,8-11,13-15H2,1-2H3
InChIKeyLFAUJAFLJBLINN-UHFFFAOYSA-N
XLogP2.45
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol 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

(2S)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124740644
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111335534
1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462681
(2S)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propan-2-ol
CID 95292419
(2S)-1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 52539359
1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111336725
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124778955
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076
1-(oxolan-2-ylmethoxy)-3-(2-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 111424785
1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462786
(3S)-2-[(2R)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124737482
N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline
CID 102562664

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 111488930) is 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol is CN(C)c1cccc(C2CCCN2CC(O)COCC2CCCO2)c1.
What is the InChIKey of 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is LFAUJAFLJBLINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-21(2)17-7-3-6-16(12-17)20-9-4-10-22(20)13-18(23)14-24-15-19-8-5-11-25-19/h3,6-7,12,18-20,23H,4-5,8-11,13-15H2,1-2H3.
What are the key properties of 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 348.49 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 111488930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).