1-[2-(4-benzylphenoxy)propyl]pyrrolidine

C20H25NO — CID 10517981

IUPAC1-[2-(4-benzylphenoxy)propyl]pyrrolidine
SMILESCC(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-17(16-21-13-5-6-14-21)22-20-11-9-19(10-12-20)15-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyXTIKQKAGBRRODN-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.14
Rot. Bonds6

About 1-[2-(4-benzylphenoxy)propyl]pyrrolidine

1-[2-(4-benzylphenoxy)propyl]pyrrolidine (PubChem CID 10517981) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)propyl]pyrrolidine
PubChem CID10517981
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[2-(4-benzylphenoxy)propyl]pyrrolidine
SMILESCC(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-17(16-21-13-5-6-14-21)22-20-11-9-19(10-12-20)15-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyXTIKQKAGBRRODN-UHFFFAOYSA-N
XLogP4.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[2-(4-benzylphenoxy)propyl]pyrrolidine (CID 10517981) is 1-[2-(4-benzylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-benzylphenoxy)propyl]pyrrolidine is CC(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)propyl]pyrrolidine?
The InChIKey is XTIKQKAGBRRODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-17(16-21-13-5-6-14-21)22-20-11-9-19(10-12-20)15-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3.
What are the key properties of 1-[2-(4-benzylphenoxy)propyl]pyrrolidine?
1-[2-(4-benzylphenoxy)propyl]pyrrolidine has a molecular weight of 295.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 10517981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).