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

C14H21NO — CID 3057965

IUPAC1-[1-(4-methoxyphenyl)propyl]pyrrolidine
SMILESCCC(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C14H21NO/c1-3-14(15-10-4-5-11-15)12-6-8-13(16-2)9-7-12/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyQGSGRXFJNKSDGP-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.24
Rot. Bonds4

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

1-[1-(4-methoxyphenyl)propyl]pyrrolidine (PubChem CID 3057965) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propyl]pyrrolidine
PubChem CID3057965
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[1-(4-methoxyphenyl)propyl]pyrrolidine
SMILESCCC(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C14H21NO/c1-3-14(15-10-4-5-11-15)12-6-8-13(16-2)9-7-12/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyQGSGRXFJNKSDGP-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.24
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)propyl]pyrrolidine?
The IUPAC name of 1-[1-(4-methoxyphenyl)propyl]pyrrolidine (CID 3057965) is 1-[1-(4-methoxyphenyl)propyl]pyrrolidine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propyl]pyrrolidine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propyl]pyrrolidine is CCC(c1ccc(OC)cc1)N1CCCC1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propyl]pyrrolidine?
The InChIKey is QGSGRXFJNKSDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(15-10-4-5-11-15)12-6-8-13(16-2)9-7-12/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)propyl]pyrrolidine?
1-[1-(4-methoxyphenyl)propyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propyl]pyrrolidine is sourced from PubChem (CID 3057965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).