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

C12H16ClN — CID 22364204

IUPAC1-[2-(4-chlorophenyl)ethyl]pyrrolidine
SMILESClc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C12H16ClN/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10H2
InChIKeyVIBIAFGWOSOETA-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.98
Rot. Bonds3

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

1-[2-(4-chlorophenyl)ethyl]pyrrolidine (PubChem CID 22364204) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]pyrrolidine
PubChem CID22364204
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-[2-(4-chlorophenyl)ethyl]pyrrolidine
SMILESClc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C12H16ClN/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10H2
InChIKeyVIBIAFGWOSOETA-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]pyrrolidine (CID 22364204) is 1-[2-(4-chlorophenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]pyrrolidine is Clc1ccc(CCN2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]pyrrolidine?
The InChIKey is VIBIAFGWOSOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]pyrrolidine?
1-[2-(4-chlorophenyl)ethyl]pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]pyrrolidine is sourced from PubChem (CID 22364204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).