2-ethyl-4-methoxy-1-phenylpyrrolidine

C13H19NO — CID 154695448

IUPAC2-ethyl-4-methoxy-1-phenylpyrrolidine
SMILESCCC1CC(OC)CN1c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-11-9-13(15-2)10-14(11)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyXUZDYKMOVYWQIC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds3

About 2-ethyl-4-methoxy-1-phenylpyrrolidine

2-ethyl-4-methoxy-1-phenylpyrrolidine (PubChem CID 154695448) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-1-phenylpyrrolidine.

Molecular Properties

Compound Name2-ethyl-4-methoxy-1-phenylpyrrolidine
PubChem CID154695448
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-ethyl-4-methoxy-1-phenylpyrrolidine
SMILESCCC1CC(OC)CN1c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-11-9-13(15-2)10-14(11)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyXUZDYKMOVYWQIC-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-1-phenylpyrrolidine?
The IUPAC name of 2-ethyl-4-methoxy-1-phenylpyrrolidine (CID 154695448) is 2-ethyl-4-methoxy-1-phenylpyrrolidine.
What is the SMILES notation for 2-ethyl-4-methoxy-1-phenylpyrrolidine?
The canonical SMILES for 2-ethyl-4-methoxy-1-phenylpyrrolidine is CCC1CC(OC)CN1c1ccccc1.
What is the InChIKey of 2-ethyl-4-methoxy-1-phenylpyrrolidine?
The InChIKey is XUZDYKMOVYWQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11-9-13(15-2)10-14(11)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3.
What are the key properties of 2-ethyl-4-methoxy-1-phenylpyrrolidine?
2-ethyl-4-methoxy-1-phenylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-1-phenylpyrrolidine is sourced from PubChem (CID 154695448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).