2-(4-chloro-2-methylphenyl)pyrrolidine

C11H14ClN — CID 55268605

IUPAC2-(4-chloro-2-methylphenyl)pyrrolidine
SMILESCc1cc(Cl)ccc1C1CCCN1
InChIInChI=1S/C11H14ClN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyVHDHTKFFDOUAEZ-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.07
Rot. Bonds1

About 2-(4-chloro-2-methylphenyl)pyrrolidine

2-(4-chloro-2-methylphenyl)pyrrolidine (PubChem CID 55268605) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)pyrrolidine
PubChem CID55268605
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name2-(4-chloro-2-methylphenyl)pyrrolidine
SMILESCc1cc(Cl)ccc1C1CCCN1
InChIInChI=1S/C11H14ClN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyVHDHTKFFDOUAEZ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)pyrrolidine?
The IUPAC name of 2-(4-chloro-2-methylphenyl)pyrrolidine (CID 55268605) is 2-(4-chloro-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)pyrrolidine is Cc1cc(Cl)ccc1C1CCCN1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)pyrrolidine?
The InChIKey is VHDHTKFFDOUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)pyrrolidine?
2-(4-chloro-2-methylphenyl)pyrrolidine has a molecular weight of 195.69 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 55268605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).