2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine

C13H18ClNO2 — CID 117392691

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

About 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine

2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine (PubChem CID 117392691) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
PubChem CID117392691
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(Cl)c(OC)c(CC2CCCN2)c1
InChIInChI=1S/C13H18ClNO2/c1-16-11-7-9(6-10-4-3-5-15-10)13(17-2)12(14)8-11/h7-8,10,15H,3-6H2,1-2H3
InChIKeyXWKVDUYKGGTYQR-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

Analyze 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]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

2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117473874
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine (CID 117392691) is 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine is COc1cc(Cl)c(OC)c(CC2CCCN2)c1.
What is the InChIKey of 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine?
The InChIKey is XWKVDUYKGGTYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-11-7-9(6-10-4-3-5-15-10)13(17-2)12(14)8-11/h7-8,10,15H,3-6H2,1-2H3.
What are the key properties of 2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine?
2-[(3-chloro-2,5-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-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117392691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).