1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine

C20H24ClNO — CID 3025359

IUPAC1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine
SMILESCC(OCCN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO/c1-20(17-7-3-2-4-8-17,18-9-11-19(21)12-10-18)23-16-15-22-13-5-6-14-22/h2-4,7-12H,5-6,13-16H2,1H3
InChIKeyXINIQAUPXOVUCJ-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.72
Rot. Bonds6

About 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine

1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine (PubChem CID 3025359) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine
PubChem CID3025359
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine
SMILESCC(OCCN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO/c1-20(17-7-3-2-4-8-17,18-9-11-19(21)12-10-18)23-16-15-22-13-5-6-14-22/h2-4,7-12H,5-6,13-16H2,1H3
InChIKeyXINIQAUPXOVUCJ-UHFFFAOYSA-N
XLogP4.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine (CID 3025359) is 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine is CC(OCCN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine?
The InChIKey is XINIQAUPXOVUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-20(17-7-3-2-4-8-17,18-9-11-19(21)12-10-18)23-16-15-22-13-5-6-14-22/h2-4,7-12H,5-6,13-16H2,1H3.
What are the key properties of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine?
1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine has a molecular weight of 329.87 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]pyrrolidine is sourced from PubChem (CID 3025359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).