3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine

C14H21NO2 — CID 135330011

IUPAC3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine
SMILESCCOCC1(COc2ccccc2)CCNC1
InChIInChI=1S/C14H21NO2/c1-2-16-11-14(8-9-15-10-14)12-17-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyBLPLKMNHGSQOBG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.08
Rot. Bonds6

About 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine

3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine (PubChem CID 135330011) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine
PubChem CID135330011
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine
SMILESCCOCC1(COc2ccccc2)CCNC1
InChIInChI=1S/C14H21NO2/c1-2-16-11-14(8-9-15-10-14)12-17-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3
InChIKeyBLPLKMNHGSQOBG-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine?
The IUPAC name of 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine (CID 135330011) is 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine?
The canonical SMILES for 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine is CCOCC1(COc2ccccc2)CCNC1.
What is the InChIKey of 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine?
The InChIKey is BLPLKMNHGSQOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-16-11-14(8-9-15-10-14)12-17-13-6-4-3-5-7-13/h3-7,15H,2,8-12H2,1H3.
What are the key properties of 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine?
3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine is sourced from PubChem (CID 135330011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).