1-[3-(2-methoxyethyl)phenyl]pyrrolidine

C13H19NO — CID 123727678

IUPAC1-[3-(2-methoxyethyl)phenyl]pyrrolidine
SMILESCOCCc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H19NO/c1-15-10-7-12-5-4-6-13(11-12)14-8-2-3-9-14/h4-6,11H,2-3,7-10H2,1H3
InChIKeySVKUGYLLKLQDRZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.48
Rot. Bonds4

About 1-[3-(2-methoxyethyl)phenyl]pyrrolidine

1-[3-(2-methoxyethyl)phenyl]pyrrolidine (PubChem CID 123727678) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)phenyl]pyrrolidine
PubChem CID123727678
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[3-(2-methoxyethyl)phenyl]pyrrolidine
SMILESCOCCc1cccc(N2CCCC2)c1
InChIInChI=1S/C13H19NO/c1-15-10-7-12-5-4-6-13(11-12)14-8-2-3-9-14/h4-6,11H,2-3,7-10H2,1H3
InChIKeySVKUGYLLKLQDRZ-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3-(2-methoxyethyl)phenyl]pyrrolidine (CID 123727678) is 1-[3-(2-methoxyethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-methoxyethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-methoxyethyl)phenyl]pyrrolidine is COCCc1cccc(N2CCCC2)c1.
What is the InChIKey of 1-[3-(2-methoxyethyl)phenyl]pyrrolidine?
The InChIKey is SVKUGYLLKLQDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-10-7-12-5-4-6-13(11-12)14-8-2-3-9-14/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of 1-[3-(2-methoxyethyl)phenyl]pyrrolidine?
1-[3-(2-methoxyethyl)phenyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)phenyl]pyrrolidine is sourced from PubChem (CID 123727678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).