2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole

C17H22N2O — CID 75482891

IUPAC2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
SMILESCOc1ccccc1C1CCN(Cc2cccn2C)C1
InChIInChI=1S/C17H22N2O/c1-18-10-5-6-15(18)13-19-11-9-14(12-19)16-7-3-4-8-17(16)20-2/h3-8,10,14H,9,11-13H2,1-2H3
InChIKeyJSCQLEBIDRGJDM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.02
Rot. Bonds4

About 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole

2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole (PubChem CID 75482891) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
PubChem CID75482891
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
SMILESCOc1ccccc1C1CCN(Cc2cccn2C)C1
InChIInChI=1S/C17H22N2O/c1-18-10-5-6-15(18)13-19-11-9-14(12-19)16-7-3-4-8-17(16)20-2/h3-8,10,14H,9,11-13H2,1-2H3
InChIKeyJSCQLEBIDRGJDM-UHFFFAOYSA-N
XLogP3.02
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
CID 23396939
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
(3S)-3-(2,5-dimethoxyphenyl)-N-[2-(1-methylpyrrol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 125438587
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
4-ethyl-2-[[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 136748608
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole?
The IUPAC name of 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole (CID 75482891) is 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole is COc1ccccc1C1CCN(Cc2cccn2C)C1.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole?
The InChIKey is JSCQLEBIDRGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-10-5-6-15(18)13-19-11-9-14(12-19)16-7-3-4-8-17(16)20-2/h3-8,10,14H,9,11-13H2,1-2H3.
What are the key properties of 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole?
2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole has a molecular weight of 270.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole is sourced from PubChem (CID 75482891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).