2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine

C13H18ClNO2 — CID 117392452

IUPAC2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(Cl)ccc(C2(C)CCCN2)c1OC
InChIInChI=1S/C13H18ClNO2/c1-13(7-4-8-15-13)9-5-6-10(14)12(17-3)11(9)16-2/h5-6,15H,4,7-8H2,1-3H3
InChIKeySQBZHCVHVXNXOU-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine

2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine (PubChem CID 117392452) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
PubChem CID117392452
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(Cl)ccc(C2(C)CCCN2)c1OC
InChIInChI=1S/C13H18ClNO2/c1-13(7-4-8-15-13)9-5-6-10(14)12(17-3)11(9)16-2/h5-6,15H,4,7-8H2,1-3H3
InChIKeySQBZHCVHVXNXOU-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
CID 117448348
5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline
CID 117443421
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 117299721
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117452830
1-[2-methoxy-3-(2-methylpyrrolidin-2-yl)phenyl]-N,N-dimethylmethanamine
CID 115004398
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine (CID 117392452) is 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine is COc1c(Cl)ccc(C2(C)CCCN2)c1OC.
What is the InChIKey of 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine?
The InChIKey is SQBZHCVHVXNXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(7-4-8-15-13)9-5-6-10(14)12(17-3)11(9)16-2/h5-6,15H,4,7-8H2,1-3H3.
What are the key properties of 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine?
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine has a molecular weight of 255.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117392452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).