3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine

C13H18ClN — CID 83823137

IUPAC3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine
SMILESCc1c(Cl)cccc1C1CCNC1(C)C
InChIInChI=1S/C13H18ClN/c1-9-10(5-4-6-12(9)14)11-7-8-15-13(11,2)3/h4-6,11,15H,7-8H2,1-3H3
InChIKeyORAHGXWQBUHSAX-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.50
Rot. Bonds1

About 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine

3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine (PubChem CID 83823137) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine
PubChem CID83823137
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine
SMILESCc1c(Cl)cccc1C1CCNC1(C)C
InChIInChI=1S/C13H18ClN/c1-9-10(5-4-6-12(9)14)11-7-8-15-13(11,2)3/h4-6,11,15H,7-8H2,1-3H3
InChIKeyORAHGXWQBUHSAX-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine (CID 83823137) is 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine is Cc1c(Cl)cccc1C1CCNC1(C)C.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine?
The InChIKey is ORAHGXWQBUHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-10(5-4-6-12(9)14)11-7-8-15-13(11,2)3/h4-6,11,15H,7-8H2,1-3H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine?
3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine has a molecular weight of 223.75 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 83823137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).