3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine

C14H21NO2 — CID 55064658

IUPAC3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine
SMILESCOCCc1ccc(OCC2CCNC2)cc1
InChIInChI=1S/C14H21NO2/c1-16-9-7-12-2-4-14(5-3-12)17-11-13-6-8-15-10-13/h2-5,13,15H,6-11H2,1H3
InChIKeyWPWUPUAWPVNDQG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds6

About 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine

3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine (PubChem CID 55064658) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine
PubChem CID55064658
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine
SMILESCOCCc1ccc(OCC2CCNC2)cc1
InChIInChI=1S/C14H21NO2/c1-16-9-7-12-2-4-14(5-3-12)17-11-13-6-8-15-10-13/h2-5,13,15H,6-11H2,1H3
InChIKeyWPWUPUAWPVNDQG-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
4-[2-[4-(2-methoxyethoxy)phenyl]ethyl]piperidine
CID 165416914
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine?
The IUPAC name of 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine (CID 55064658) is 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine?
The canonical SMILES for 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine is COCCc1ccc(OCC2CCNC2)cc1.
What is the InChIKey of 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine?
The InChIKey is WPWUPUAWPVNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-9-7-12-2-4-14(5-3-12)17-11-13-6-8-15-10-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine?
3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 55064658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).