2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine

C14H21NO2 — CID 117270683

IUPAC2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine
SMILESCOCC1CC(Cc2cccc(OC)c2)CN1
InChIInChI=1S/C14H21NO2/c1-16-10-13-7-12(9-15-13)6-11-4-3-5-14(8-11)17-2/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3
InChIKeyOUQFGQXXPAFAMF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds5

About 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine

2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine (PubChem CID 117270683) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine
PubChem CID117270683
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine
SMILESCOCC1CC(Cc2cccc(OC)c2)CN1
InChIInChI=1S/C14H21NO2/c1-16-10-13-7-12(9-15-13)6-11-4-3-5-14(8-11)17-2/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3
InChIKeyOUQFGQXXPAFAMF-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70967395
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(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
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5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
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CID 82377070
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
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4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
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(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
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N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine (CID 117270683) is 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine is COCC1CC(Cc2cccc(OC)c2)CN1.
What is the InChIKey of 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is OUQFGQXXPAFAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-13-7-12(9-15-13)6-11-4-3-5-14(8-11)17-2/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine?
2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117270683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).