3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine

C13H19NO2 — CID 105477836

IUPAC3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1cccc(OC(C)C2CCNC2)c1
InChIInChI=1S/C13H19NO2/c1-10(11-6-7-14-9-11)16-13-5-3-4-12(8-13)15-2/h3-5,8,10-11,14H,6-7,9H2,1-2H3
InChIKeyJMUVPGLMHWQZQI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds4

About 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine

3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine (PubChem CID 105477836) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
PubChem CID105477836
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1cccc(OC(C)C2CCNC2)c1
InChIInChI=1S/C13H19NO2/c1-10(11-6-7-14-9-11)16-13-5-3-4-12(8-13)15-2/h3-5,8,10-11,14H,6-7,9H2,1-2H3
InChIKeyJMUVPGLMHWQZQI-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
3-(1-naphthalen-2-yloxyethyl)pyrrolidine
CID 59544011
3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
CID 66848319
3-(1-phenoxyethyl)azetidine
CID 105437140
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836
4-[1-(2-methoxyphenoxy)ethyl]piperidine
CID 105496691
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine (CID 105477836) is 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine is COc1cccc(OC(C)C2CCNC2)c1.
What is the InChIKey of 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine?
The InChIKey is JMUVPGLMHWQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(11-6-7-14-9-11)16-13-5-3-4-12(8-13)15-2/h3-5,8,10-11,14H,6-7,9H2,1-2H3.
What are the key properties of 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine?
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 105477836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).