1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine

C16H25NO3 — CID 2296808

IUPAC1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCCOc1cccc(OCCOCCN2CCCC2)c1
InChIInChI=1S/C16H25NO3/c1-2-19-15-6-5-7-16(14-15)20-13-12-18-11-10-17-8-3-4-9-17/h5-7,14H,2-4,8-13H2,1H3
InChIKeyITNARLBNOQBTPZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.58
Rot. Bonds9

About 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine

1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine (PubChem CID 2296808) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine
PubChem CID2296808
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCCOc1cccc(OCCOCCN2CCCC2)c1
InChIInChI=1S/C16H25NO3/c1-2-19-15-6-5-7-16(14-15)20-13-12-18-11-10-17-8-3-4-9-17/h5-7,14H,2-4,8-13H2,1H3
InChIKeyITNARLBNOQBTPZ-UHFFFAOYSA-N
XLogP2.58
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine (CID 2296808) is 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine is CCOc1cccc(OCCOCCN2CCCC2)c1.
What is the InChIKey of 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine?
The InChIKey is ITNARLBNOQBTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-19-15-6-5-7-16(14-15)20-13-12-18-11-10-17-8-3-4-9-17/h5-7,14H,2-4,8-13H2,1H3.
What are the key properties of 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine?
1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine has a molecular weight of 279.38 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine is sourced from PubChem (CID 2296808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).