3-(3-methoxyphenyl)-1-propylpyrrolidine

C14H21NO — CID 12937994

IUPAC3-(3-methoxyphenyl)-1-propylpyrrolidine
SMILESCCCN1CCC(c2cccc(OC)c2)C1
InChIInChI=1S/C14H21NO/c1-3-8-15-9-7-13(11-15)12-5-4-6-14(10-12)16-2/h4-6,10,13H,3,7-9,11H2,1-2H3
InChIKeyFWJGHQRTPNUZIV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-propylpyrrolidine

3-(3-methoxyphenyl)-1-propylpyrrolidine (PubChem CID 12937994) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-propylpyrrolidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-propylpyrrolidine
PubChem CID12937994
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3-methoxyphenyl)-1-propylpyrrolidine
SMILESCCCN1CCC(c2cccc(OC)c2)C1
InChIInChI=1S/C14H21NO/c1-3-8-15-9-7-13(11-15)12-5-4-6-14(10-12)16-2/h4-6,10,13H,3,7-9,11H2,1-2H3
InChIKeyFWJGHQRTPNUZIV-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-propylpyrrolidine?
The IUPAC name of 3-(3-methoxyphenyl)-1-propylpyrrolidine (CID 12937994) is 3-(3-methoxyphenyl)-1-propylpyrrolidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-propylpyrrolidine?
The canonical SMILES for 3-(3-methoxyphenyl)-1-propylpyrrolidine is CCCN1CCC(c2cccc(OC)c2)C1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-propylpyrrolidine?
The InChIKey is FWJGHQRTPNUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-8-15-9-7-13(11-15)12-5-4-6-14(10-12)16-2/h4-6,10,13H,3,7-9,11H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-propylpyrrolidine?
3-(3-methoxyphenyl)-1-propylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-propylpyrrolidine is sourced from PubChem (CID 12937994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).