2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine

C13H19NO2 — CID 105477705

IUPAC2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine
SMILESCOCC1CCC(c2cccc(OC)c2)N1
InChIInChI=1S/C13H19NO2/c1-15-9-11-6-7-13(14-11)10-4-3-5-12(8-10)16-2/h3-5,8,11,13-14H,6-7,9H2,1-2H3
InChIKeyGMRUKCOTPZAIQG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds4

About 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine

2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine (PubChem CID 105477705) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine
PubChem CID105477705
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine
SMILESCOCC1CCC(c2cccc(OC)c2)N1
InChIInChI=1S/C13H19NO2/c1-15-9-11-6-7-13(14-11)10-4-3-5-12(8-10)16-2/h3-5,8,11,13-14H,6-7,9H2,1-2H3
InChIKeyGMRUKCOTPZAIQG-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide
CID 66219415
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine (CID 105477705) is 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine is COCC1CCC(c2cccc(OC)c2)N1.
What is the InChIKey of 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine?
The InChIKey is GMRUKCOTPZAIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-11-6-7-13(14-11)10-4-3-5-12(8-10)16-2/h3-5,8,11,13-14H,6-7,9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine?
2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 105477705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).