1-[2-(3-ethylphenoxy)ethyl]pyrrolidine

C14H21NO — CID 803376

IUPAC1-[2-(3-ethylphenoxy)ethyl]pyrrolidine
SMILESCCc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-2-13-6-5-7-14(12-13)16-11-10-15-8-3-4-9-15/h5-7,12H,2-4,8-11H2,1H3
InChIKeyXIMYNJJUWMRNFK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds5

About 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine

1-[2-(3-ethylphenoxy)ethyl]pyrrolidine (PubChem CID 803376) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(3-ethylphenoxy)ethyl]pyrrolidine
PubChem CID803376
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(3-ethylphenoxy)ethyl]pyrrolidine
SMILESCCc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-2-13-6-5-7-14(12-13)16-11-10-15-8-3-4-9-15/h5-7,12H,2-4,8-11H2,1H3
InChIKeyXIMYNJJUWMRNFK-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine (CID 803376) is 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine is CCc1cccc(OCCN2CCCC2)c1.
What is the InChIKey of 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine?
The InChIKey is XIMYNJJUWMRNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-13-6-5-7-14(12-13)16-11-10-15-8-3-4-9-15/h5-7,12H,2-4,8-11H2,1H3.
What are the key properties of 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine?
1-[2-(3-ethylphenoxy)ethyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 803376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).