2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine

C12H16ClN — CID 117299724

IUPAC2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
SMILESCc1cccc(C2(C)CCCN2)c1Cl
InChIInChI=1S/C12H16ClN/c1-9-5-3-6-10(11(9)13)12(2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyMRWSINAMNXUORN-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.25
Rot. Bonds1

About 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine

2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine (PubChem CID 117299724) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
PubChem CID117299724
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
SMILESCc1cccc(C2(C)CCCN2)c1Cl
InChIInChI=1S/C12H16ClN/c1-9-5-3-6-10(11(9)13)12(2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyMRWSINAMNXUORN-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine 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-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 117299721
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-chloro-1-methyl-3-(1-methylsulfanylcyclopropyl)benzene
CID 143929168
2-(2-chlorofuran-3-yl)-2-methylpyrrolidine
CID 82655515
2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
CID 117361379
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidine
CID 117387306
3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole
CID 117308417
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine (CID 117299724) is 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine is Cc1cccc(C2(C)CCCN2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine?
The InChIKey is MRWSINAMNXUORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-5-3-6-10(11(9)13)12(2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3.
What are the key properties of 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine?
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117299724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).