3-(2-methoxyethyl)-3-phenylpyrrolidine

C13H19NO — CID 154163341

IUPAC3-(2-methoxyethyl)-3-phenylpyrrolidine
SMILESCOCCC1(c2ccccc2)CCNC1
InChIInChI=1S/C13H19NO/c1-15-10-8-13(7-9-14-11-13)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyVEHBVNIIYJKWKJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds4

About 3-(2-methoxyethyl)-3-phenylpyrrolidine

3-(2-methoxyethyl)-3-phenylpyrrolidine (PubChem CID 154163341) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-3-phenylpyrrolidine
PubChem CID154163341
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-methoxyethyl)-3-phenylpyrrolidine
SMILESCOCCC1(c2ccccc2)CCNC1
InChIInChI=1S/C13H19NO/c1-15-10-8-13(7-9-14-11-13)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyVEHBVNIIYJKWKJ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-3-phenylpyrrolidine?
The IUPAC name of 3-(2-methoxyethyl)-3-phenylpyrrolidine (CID 154163341) is 3-(2-methoxyethyl)-3-phenylpyrrolidine.
What is the SMILES notation for 3-(2-methoxyethyl)-3-phenylpyrrolidine?
The canonical SMILES for 3-(2-methoxyethyl)-3-phenylpyrrolidine is COCCC1(c2ccccc2)CCNC1.
What is the InChIKey of 3-(2-methoxyethyl)-3-phenylpyrrolidine?
The InChIKey is VEHBVNIIYJKWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-10-8-13(7-9-14-11-13)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-3-phenylpyrrolidine?
3-(2-methoxyethyl)-3-phenylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-3-phenylpyrrolidine is sourced from PubChem (CID 154163341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).