2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine

C20H25NO3 — CID 134001112

IUPAC2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cccc(CN2CCCC2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25NO3/c1-22-17-7-4-6-15(12-17)14-21-11-5-8-18(21)16-9-10-19(23-2)20(13-16)24-3/h4,6-7,9-10,12-13,18H,5,8,11,14H2,1-3H3
InChIKeyOEEDYRJCELHLDJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.05
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine

2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine (PubChem CID 134001112) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
PubChem CID134001112
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cccc(CN2CCCC2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25NO3/c1-22-17-7-4-6-15(12-17)14-21-11-5-8-18(21)16-9-10-19(23-2)20(13-16)24-3/h4,6-7,9-10,12-13,18H,5,8,11,14H2,1-3H3
InChIKeyOEEDYRJCELHLDJ-UHFFFAOYSA-N
XLogP4.05
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
CID 136576676
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-(4-methoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 46266484
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 92613045
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 134001152

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine (CID 134001112) is 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine is COc1cccc(CN2CCCC2c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is OEEDYRJCELHLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-22-17-7-4-6-15(12-17)14-21-11-5-8-18(21)16-9-10-19(23-2)20(13-16)24-3/h4,6-7,9-10,12-13,18H,5,8,11,14H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine?
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 327.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 134001112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).