1-[2-(4-phenylphenoxy)ethyl]pyrrolidine

C18H21NO — CID 10333202

IUPAC1-[2-(4-phenylphenoxy)ethyl]pyrrolidine
SMILESc1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
InChIKeyPKUGRVAJRGZDJP-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.83
Rot. Bonds5

About 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine

1-[2-(4-phenylphenoxy)ethyl]pyrrolidine (PubChem CID 10333202) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-phenylphenoxy)ethyl]pyrrolidine
PubChem CID10333202
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[2-(4-phenylphenoxy)ethyl]pyrrolidine
SMILESc1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
InChIKeyPKUGRVAJRGZDJP-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine (CID 10333202) is 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine is c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine?
The InChIKey is PKUGRVAJRGZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2.
What are the key properties of 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine?
1-[2-(4-phenylphenoxy)ethyl]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 10333202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).