3-(4-chloro-2,5-dimethylphenyl)pyrrolidine

C12H16ClN — CID 84781090

IUPAC3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
SMILESCc1cc(C2CCNC2)c(C)cc1Cl
InChIInChI=1S/C12H16ClN/c1-8-6-12(13)9(2)5-11(8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyJDDWGGUJONRMJW-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.03
Rot. Bonds1

About 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine

3-(4-chloro-2,5-dimethylphenyl)pyrrolidine (PubChem CID 84781090) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
PubChem CID84781090
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
SMILESCc1cc(C2CCNC2)c(C)cc1Cl
InChIInChI=1S/C12H16ClN/c1-8-6-12(13)9(2)5-11(8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyJDDWGGUJONRMJW-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
CID 117302392
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
CID 82498615

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine (CID 84781090) is 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine is Cc1cc(C2CCNC2)c(C)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine?
The InChIKey is JDDWGGUJONRMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8-6-12(13)9(2)5-11(8)10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine?
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 84781090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).