1-[3-(2-benzylphenoxy)propyl]pyrrolidine

C20H25NO — CID 11335419

IUPAC1-[3-(2-benzylphenoxy)propyl]pyrrolidine
SMILESc1ccc(Cc2ccccc2OCCCN2CCCC2)cc1
InChIInChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2
InChIKeySECXHJRGBAZUCO-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.14
Rot. Bonds7

About 1-[3-(2-benzylphenoxy)propyl]pyrrolidine

1-[3-(2-benzylphenoxy)propyl]pyrrolidine (PubChem CID 11335419) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[3-(2-benzylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-benzylphenoxy)propyl]pyrrolidine
PubChem CID11335419
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[3-(2-benzylphenoxy)propyl]pyrrolidine
SMILESc1ccc(Cc2ccccc2OCCCN2CCCC2)cc1
InChIInChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2
InChIKeySECXHJRGBAZUCO-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(2-benzylphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(2-benzylphenoxy)propyl]pyrrolidine (CID 11335419) is 1-[3-(2-benzylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-benzylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-benzylphenoxy)propyl]pyrrolidine is c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1.
What is the InChIKey of 1-[3-(2-benzylphenoxy)propyl]pyrrolidine?
The InChIKey is SECXHJRGBAZUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-9-18(10-3-1)17-19-11-4-5-12-20(19)22-16-8-15-21-13-6-7-14-21/h1-5,9-12H,6-8,13-17H2.
What are the key properties of 1-[3-(2-benzylphenoxy)propyl]pyrrolidine?
1-[3-(2-benzylphenoxy)propyl]pyrrolidine has a molecular weight of 295.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-benzylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 11335419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).