3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine

C13H18ClNO — CID 117352217

IUPAC3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
SMILESCOc1c(C)cc(Cl)c(C2CCNC2)c1C
InChIInChI=1S/C13H18ClNO/c1-8-6-11(14)12(9(2)13(8)16-3)10-4-5-15-7-10/h6,10,15H,4-5,7H2,1-3H3
InChIKeyTZKFNCOIXGODRN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.04
Rot. Bonds2

About 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine

3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine (PubChem CID 117352217) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
PubChem CID117352217
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
SMILESCOc1c(C)cc(Cl)c(C2CCNC2)c1C
InChIInChI=1S/C13H18ClNO/c1-8-6-11(14)12(9(2)13(8)16-3)10-4-5-15-7-10/h6,10,15H,4-5,7H2,1-3H3
InChIKeyTZKFNCOIXGODRN-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine (CID 117352217) is 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine is COc1c(C)cc(Cl)c(C2CCNC2)c1C.
What is the InChIKey of 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine?
The InChIKey is TZKFNCOIXGODRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-6-11(14)12(9(2)13(8)16-3)10-4-5-15-7-10/h6,10,15H,4-5,7H2,1-3H3.
What are the key properties of 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine?
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 117352217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).