2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine

C16H24ClNO2 — CID 104688570

IUPAC2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCOc1ccc(CC2(C(C)C)CCCN2)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-11(2)16(8-5-9-18-16)10-12-6-7-13(19-3)15(20-4)14(12)17/h6-7,11,18H,5,8-10H2,1-4H3
InChIKeyJPGSIYARCXABFY-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.68
Rot. Bonds5

About 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine

2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 104688570) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID104688570
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCOc1ccc(CC2(C(C)C)CCCN2)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-11(2)16(8-5-9-18-16)10-12-6-7-13(19-3)15(20-4)14(12)17/h6-7,11,18H,5,8-10H2,1-4H3
InChIKeyJPGSIYARCXABFY-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine 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-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468098
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 102619043
2-[(4-ethoxy-3-methoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
CID 104688531
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
CID 117448348
2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
2-(furan-2-ylmethyl)-2-propan-2-ylpyrrolidine
CID 83174870
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 83079886
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine (CID 104688570) is 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine is COc1ccc(CC2(C(C)C)CCCN2)c(Cl)c1OC.
What is the InChIKey of 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is JPGSIYARCXABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11(2)16(8-5-9-18-16)10-12-6-7-13(19-3)15(20-4)14(12)17/h6-7,11,18H,5,8-10H2,1-4H3.
What are the key properties of 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine?
2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 297.83 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 104688570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).