3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine

C13H18ClNO — CID 84701649

IUPAC3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine
SMILESCCc1cc(OC)c(Cl)cc1C1CCNC1
InChIInChI=1S/C13H18ClNO/c1-3-9-6-13(16-2)12(14)7-11(9)10-4-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyMMWMBFAXEBJEMA-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.99
Rot. Bonds3

About 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine

3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine (PubChem CID 84701649) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine
PubChem CID84701649
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine
SMILESCCc1cc(OC)c(Cl)cc1C1CCNC1
InChIInChI=1S/C13H18ClNO/c1-3-9-6-13(16-2)12(14)7-11(9)10-4-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyMMWMBFAXEBJEMA-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
CID 117452505
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
CID 117387978
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
4-(5-chloro-3-ethyl-2-methoxyphenyl)piperidine
CID 117387972
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine (CID 84701649) is 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine is CCc1cc(OC)c(Cl)cc1C1CCNC1.
What is the InChIKey of 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine?
The InChIKey is MMWMBFAXEBJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-9-6-13(16-2)12(14)7-11(9)10-4-5-15-8-10/h6-7,10,15H,3-5,8H2,1-2H3.
What are the key properties of 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine?
3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 84701649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).