2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine

C13H18ClNO2 — CID 117392683

IUPAC2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(Cl)c(CC2CCCN2)c(OC)c1
InChIInChI=1S/C13H18ClNO2/c1-16-10-7-12(14)11(13(8-10)17-2)6-9-4-3-5-15-9/h7-9,15H,3-6H2,1-2H3
InChIKeyVNLSNZRCJGQHSX-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.65
Rot. Bonds4

About 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine

2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine (PubChem CID 117392683) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
PubChem CID117392683
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(Cl)c(CC2CCCN2)c(OC)c1
InChIInChI=1S/C13H18ClNO2/c1-16-10-7-12(14)11(13(8-10)17-2)6-9-4-3-5-15-9/h7-9,15H,3-6H2,1-2H3
InChIKeyVNLSNZRCJGQHSX-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
CID 117479585
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine (CID 117392683) is 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine is COc1cc(Cl)c(CC2CCCN2)c(OC)c1.
What is the InChIKey of 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine?
The InChIKey is VNLSNZRCJGQHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-10-7-12(14)11(13(8-10)17-2)6-9-4-3-5-15-9/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine?
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine has a molecular weight of 255.74 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117392683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).