[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone

C21H26N2O3 — CID 46525291

IUPAC[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C21H26N2O3/c1-22(2)16-8-5-7-15(13-16)21(24)23-12-6-9-19(23)18-14-17(25-3)10-11-20(18)26-4/h5,7-8,10-11,13-14,19H,6,9,12H2,1-4H3
InChIKeyBOBJHLJJXWZUTI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds5

About [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone

[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 46525291) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID46525291
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C21H26N2O3/c1-22(2)16-8-5-7-15(13-16)21(24)23-12-6-9-19(23)18-14-17(25-3)10-11-20(18)26-4/h5,7-8,10-11,13-14,19H,6,9,12H2,1-4H3
InChIKeyBOBJHLJJXWZUTI-UHFFFAOYSA-N
XLogP3.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 40854673
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
CID 55388968
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 25374945
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 55555216
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41328131
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 41328133
N-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55388746
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 55685739

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 46525291) is [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone is COc1ccc(OC)c(C2CCCN2C(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is BOBJHLJJXWZUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22(2)16-8-5-7-15(13-16)21(24)23-12-6-9-19(23)18-14-17(25-3)10-11-20(18)26-4/h5,7-8,10-11,13-14,19H,6,9,12H2,1-4H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 46525291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).