3-(2-phenoxyethoxymethyl)pyrrolidine

C13H19NO2 — CID 56829876

IUPAC3-(2-phenoxyethoxymethyl)pyrrolidine
SMILESc1ccc(OCCOCC2CCNC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-4-13(5-3-1)16-9-8-15-11-12-6-7-14-10-12/h1-5,12,14H,6-11H2
InChIKeyIOOPBHSXPALJNZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds6

About 3-(2-phenoxyethoxymethyl)pyrrolidine

3-(2-phenoxyethoxymethyl)pyrrolidine (PubChem CID 56829876) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-phenoxyethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-phenoxyethoxymethyl)pyrrolidine
PubChem CID56829876
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-phenoxyethoxymethyl)pyrrolidine
SMILESc1ccc(OCCOCC2CCNC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-4-13(5-3-1)16-9-8-15-11-12-6-7-14-10-12/h1-5,12,14H,6-11H2
InChIKeyIOOPBHSXPALJNZ-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
2-[2-(pyrrolidin-3-ylmethoxy)ethyl]pyridine
CID 62371245
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
2-(2-phenoxyethoxymethyl)piperidine
CID 24692889
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
CID 56829885
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxymethyl)pyrrolidine?
The IUPAC name of 3-(2-phenoxyethoxymethyl)pyrrolidine (CID 56829876) is 3-(2-phenoxyethoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(2-phenoxyethoxymethyl)pyrrolidine?
The canonical SMILES for 3-(2-phenoxyethoxymethyl)pyrrolidine is c1ccc(OCCOCC2CCNC2)cc1.
What is the InChIKey of 3-(2-phenoxyethoxymethyl)pyrrolidine?
The InChIKey is IOOPBHSXPALJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-4-13(5-3-1)16-9-8-15-11-12-6-7-14-10-12/h1-5,12,14H,6-11H2.
What are the key properties of 3-(2-phenoxyethoxymethyl)pyrrolidine?
3-(2-phenoxyethoxymethyl)pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxymethyl)pyrrolidine is sourced from PubChem (CID 56829876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).