3-(3-methoxyphenyl)-3-propylpyrrolidine

C14H21NO — CID 3057970

IUPAC3-(3-methoxyphenyl)-3-propylpyrrolidine
SMILESCCCC1(c2cccc(OC)c2)CCNC1
InChIInChI=1S/C14H21NO/c1-3-7-14(8-9-15-11-14)12-5-4-6-13(10-12)16-2/h4-6,10,15H,3,7-9,11H2,1-2H3
InChIKeyBRSBHXXNXDSKOT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds4

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

3-(3-methoxyphenyl)-3-propylpyrrolidine (PubChem CID 3057970) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3-propylpyrrolidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3-propylpyrrolidine
PubChem CID3057970
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3-methoxyphenyl)-3-propylpyrrolidine
SMILESCCCC1(c2cccc(OC)c2)CCNC1
InChIInChI=1S/C14H21NO/c1-3-7-14(8-9-15-11-14)12-5-4-6-13(10-12)16-2/h4-6,10,15H,3,7-9,11H2,1-2H3
InChIKeyBRSBHXXNXDSKOT-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3-propylpyrrolidine?
The IUPAC name of 3-(3-methoxyphenyl)-3-propylpyrrolidine (CID 3057970) is 3-(3-methoxyphenyl)-3-propylpyrrolidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-3-propylpyrrolidine?
The canonical SMILES for 3-(3-methoxyphenyl)-3-propylpyrrolidine is CCCC1(c2cccc(OC)c2)CCNC1.
What is the InChIKey of 3-(3-methoxyphenyl)-3-propylpyrrolidine?
The InChIKey is BRSBHXXNXDSKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-14(8-9-15-11-14)12-5-4-6-13(10-12)16-2/h4-6,10,15H,3,7-9,11H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-3-propylpyrrolidine?
3-(3-methoxyphenyl)-3-propylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3-propylpyrrolidine is sourced from PubChem (CID 3057970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).