3-[(2-propoxyphenoxy)methyl]pyrrolidine

C14H21NO2 — CID 55064564

IUPAC3-[(2-propoxyphenoxy)methyl]pyrrolidine
SMILESCCCOc1ccccc1OCC1CCNC1
InChIInChI=1S/C14H21NO2/c1-2-9-16-13-5-3-4-6-14(13)17-11-12-7-8-15-10-12/h3-6,12,15H,2,7-11H2,1H3
InChIKeyFEXXIWVCQLAIDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds6

About 3-[(2-propoxyphenoxy)methyl]pyrrolidine

3-[(2-propoxyphenoxy)methyl]pyrrolidine (PubChem CID 55064564) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-propoxyphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-propoxyphenoxy)methyl]pyrrolidine
PubChem CID55064564
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[(2-propoxyphenoxy)methyl]pyrrolidine
SMILESCCCOc1ccccc1OCC1CCNC1
InChIInChI=1S/C14H21NO2/c1-2-9-16-13-5-3-4-6-14(13)17-11-12-7-8-15-10-12/h3-6,12,15H,2,7-11H2,1H3
InChIKeyFEXXIWVCQLAIDQ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propoxyphenoxy)methyl]pyrrolidine?
The IUPAC name of 3-[(2-propoxyphenoxy)methyl]pyrrolidine (CID 55064564) is 3-[(2-propoxyphenoxy)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2-propoxyphenoxy)methyl]pyrrolidine?
The canonical SMILES for 3-[(2-propoxyphenoxy)methyl]pyrrolidine is CCCOc1ccccc1OCC1CCNC1.
What is the InChIKey of 3-[(2-propoxyphenoxy)methyl]pyrrolidine?
The InChIKey is FEXXIWVCQLAIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-9-16-13-5-3-4-6-14(13)17-11-12-7-8-15-10-12/h3-6,12,15H,2,7-11H2,1H3.
What are the key properties of 3-[(2-propoxyphenoxy)methyl]pyrrolidine?
3-[(2-propoxyphenoxy)methyl]pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propoxyphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 55064564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).