2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine

C13H18ClNO — CID 117352130

IUPAC2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine
SMILESCOCc1ccc(Cl)cc1C1(C)CCCN1
InChIInChI=1S/C13H18ClNO/c1-13(6-3-7-15-13)12-8-11(14)5-4-10(12)9-16-2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyJZJNQVXCYUJIST-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.09
Rot. Bonds3

About 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine

2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine (PubChem CID 117352130) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine
PubChem CID117352130
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine
SMILESCOCc1ccc(Cl)cc1C1(C)CCCN1
InChIInChI=1S/C13H18ClNO/c1-13(6-3-7-15-13)12-8-11(14)5-4-10(12)9-16-2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyJZJNQVXCYUJIST-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117355185
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
CID 117449114
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]-2-methylpyrrolidine
CID 117376091
2-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpyrrolidine
CID 117351983
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117452830
7-chloro-4-(2-methylpyrrolidin-2-yl)quinoline
CID 20977046
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 117299721
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine (CID 117352130) is 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine is COCc1ccc(Cl)cc1C1(C)CCCN1.
What is the InChIKey of 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The InChIKey is JZJNQVXCYUJIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(6-3-7-15-13)12-8-11(14)5-4-10(12)9-16-2/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine?
2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117352130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).