1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone

C20H24N2O3 — CID 97237633

IUPAC1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
SMILESCN(C)c1cccc([C@H]2CCCN2C(=O)COc2ccccc2O)c1
InChIInChI=1S/C20H24N2O3/c1-21(2)16-8-5-7-15(13-16)17-9-6-12-22(17)20(24)14-25-19-11-4-3-10-18(19)23/h3-5,7-8,10-11,13,17,23H,6,9,12,14H2,1-2H3/t17-/m1/s1
InChIKeyGGQCUFUBJMQYDL-QGZVFWFLSA-N
MW340.42 g/mol
LogP3.20
Rot. Bonds5

About 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone

1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone (PubChem CID 97237633) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
PubChem CID97237633
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
SMILESCN(C)c1cccc([C@H]2CCCN2C(=O)COc2ccccc2O)c1
InChIInChI=1S/C20H24N2O3/c1-21(2)16-8-5-7-15(13-16)17-9-6-12-22(17)20(24)14-25-19-11-4-3-10-18(19)23/h3-5,7-8,10-11,13,17,23H,6,9,12,14H2,1-2H3/t17-/m1/s1
InChIKeyGGQCUFUBJMQYDL-QGZVFWFLSA-N
XLogP3.20
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119889816
2-(2-chlorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51325114
3-(2-aminophenyl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 120613264
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethanone
CID 119889839
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-5-(4-methoxyphenyl)pentan-1-one
CID 86968725
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141330636
2-(2,4-dibromophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293959
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 51140306
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 40918909

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone?
The IUPAC name of 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone (CID 97237633) is 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone.
What is the SMILES notation for 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone?
The canonical SMILES for 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone is CN(C)c1cccc([C@H]2CCCN2C(=O)COc2ccccc2O)c1.
What is the InChIKey of 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone?
The InChIKey is GGQCUFUBJMQYDL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21(2)16-8-5-7-15(13-16)17-9-6-12-22(17)20(24)14-25-19-11-4-3-10-18(19)23/h3-5,7-8,10-11,13,17,23H,6,9,12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone?
1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone is sourced from PubChem (CID 97237633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).