1-[1-(4-methoxyphenyl)butyl]pyrrolidine

C15H23NO — CID 3057969

IUPAC1-[1-(4-methoxyphenyl)butyl]pyrrolidine
SMILESCCCC(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C15H23NO/c1-3-6-15(16-11-4-5-12-16)13-7-9-14(17-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyOGDQQIOZHSSBOV-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.63
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)butyl]pyrrolidine

1-[1-(4-methoxyphenyl)butyl]pyrrolidine (PubChem CID 3057969) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)butyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)butyl]pyrrolidine
PubChem CID3057969
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[1-(4-methoxyphenyl)butyl]pyrrolidine
SMILESCCCC(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C15H23NO/c1-3-6-15(16-11-4-5-12-16)13-7-9-14(17-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyOGDQQIOZHSSBOV-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)butyl]pyrrolidine?
The IUPAC name of 1-[1-(4-methoxyphenyl)butyl]pyrrolidine (CID 3057969) is 1-[1-(4-methoxyphenyl)butyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)butyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)butyl]pyrrolidine is CCCC(c1ccc(OC)cc1)N1CCCC1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)butyl]pyrrolidine?
The InChIKey is OGDQQIOZHSSBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-6-15(16-11-4-5-12-16)13-7-9-14(17-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)butyl]pyrrolidine?
1-[1-(4-methoxyphenyl)butyl]pyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)butyl]pyrrolidine is sourced from PubChem (CID 3057969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).