3-(2-ethoxyphenoxy)pyrrolidine

C12H17NO2 — CID 45075484

IUPAC3-(2-ethoxyphenoxy)pyrrolidine
SMILESCCOc1ccccc1OC1CCNC1
InChIInChI=1S/C12H17NO2/c1-2-14-11-5-3-4-6-12(11)15-10-7-8-13-9-10/h3-6,10,13H,2,7-9H2,1H3
InChIKeyQRUULZANXZNLHG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-ethoxyphenoxy)pyrrolidine

3-(2-ethoxyphenoxy)pyrrolidine (PubChem CID 45075484) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)pyrrolidine
PubChem CID45075484
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2-ethoxyphenoxy)pyrrolidine
SMILESCCOc1ccccc1OC1CCNC1
InChIInChI=1S/C12H17NO2/c1-2-14-11-5-3-4-6-12(11)15-10-7-8-13-9-10/h3-6,10,13H,2,7-9H2,1H3
InChIKeyQRUULZANXZNLHG-UHFFFAOYSA-N
XLogP1.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-ethoxyphenoxy)pyrrolidine
CID 26191976
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
4-[2-(2-ethoxyphenoxy)ethoxy]piperidine
CID 28803023
2-(2-ethoxyphenoxy)piperazine
CID 139626395
(3S)-3-(2-benzylphenoxy)pyrrolidine
CID 26192029
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
CID 86322513
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)pyrrolidine?
The IUPAC name of 3-(2-ethoxyphenoxy)pyrrolidine (CID 45075484) is 3-(2-ethoxyphenoxy)pyrrolidine.
What is the SMILES notation for 3-(2-ethoxyphenoxy)pyrrolidine?
The canonical SMILES for 3-(2-ethoxyphenoxy)pyrrolidine is CCOc1ccccc1OC1CCNC1.
What is the InChIKey of 3-(2-ethoxyphenoxy)pyrrolidine?
The InChIKey is QRUULZANXZNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-14-11-5-3-4-6-12(11)15-10-7-8-13-9-10/h3-6,10,13H,2,7-9H2,1H3.
What are the key properties of 3-(2-ethoxyphenoxy)pyrrolidine?
3-(2-ethoxyphenoxy)pyrrolidine has a molecular weight of 207.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)pyrrolidine is sourced from PubChem (CID 45075484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).