1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine

C20H25NO2 — CID 10335638

IUPAC1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccc(Cc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-22-19-8-4-17(5-9-19)16-18-6-10-20(11-7-18)23-15-14-21-12-2-3-13-21/h4-11H,2-3,12-16H2,1H3
InChIKeyBVNPTKVSXBXYCM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.76
Rot. Bonds7

About 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine

1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine (PubChem CID 10335638) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine
PubChem CID10335638
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccc(Cc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-22-19-8-4-17(5-9-19)16-18-6-10-20(11-7-18)23-15-14-21-12-2-3-13-21/h4-11H,2-3,12-16H2,1H3
InChIKeyBVNPTKVSXBXYCM-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine (CID 10335638) is 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine is COc1ccc(Cc2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is BVNPTKVSXBXYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-22-19-8-4-17(5-9-19)16-18-6-10-20(11-7-18)23-15-14-21-12-2-3-13-21/h4-11H,2-3,12-16H2,1H3.
What are the key properties of 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 311.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-methoxyphenyl)methyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 10335638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).