2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine

C13H19NO2 — CID 3362544

IUPAC2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine
SMILESCOc1cccc(OC)c1C1NCCC1C
InChIInChI=1S/C13H19NO2/c1-9-7-8-14-13(9)12-10(15-2)5-4-6-11(12)16-3/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyKJKSYOWWQURKBN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds3

About 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine

2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine (PubChem CID 3362544) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine
PubChem CID3362544
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine
SMILESCOc1cccc(OC)c1C1NCCC1C
InChIInChI=1S/C13H19NO2/c1-9-7-8-14-13(9)12-10(15-2)5-4-6-11(12)16-3/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyKJKSYOWWQURKBN-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804
ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
CID 156843779
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
3-(2,6-dimethoxyphenyl)-8-azabicyclo[3.2.1]octane
CID 24904304
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine (CID 3362544) is 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine is COc1cccc(OC)c1C1NCCC1C.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine?
The InChIKey is KJKSYOWWQURKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-8-14-13(9)12-10(15-2)5-4-6-11(12)16-3/h4-6,9,13-14H,7-8H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine?
2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine is sourced from PubChem (CID 3362544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).