3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine

C12H16ClN — CID 106818311

IUPAC3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1ccc(C2CCNC2C)cc1Cl
InChIInChI=1S/C12H16ClN/c1-8-3-4-10(7-12(8)13)11-5-6-14-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3
InChIKeyUWGPLCZECRGXTJ-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.11
Rot. Bonds1

About 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine

3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine (PubChem CID 106818311) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
PubChem CID106818311
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1ccc(C2CCNC2C)cc1Cl
InChIInChI=1S/C12H16ClN/c1-8-3-4-10(7-12(8)13)11-5-6-14-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3
InChIKeyUWGPLCZECRGXTJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine (CID 106818311) is 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine is Cc1ccc(C2CCNC2C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine?
The InChIKey is UWGPLCZECRGXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8-3-4-10(7-12(8)13)11-5-6-14-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine?
3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 106818311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).