1-(3-chloro-2,6-dimethylphenyl)pyrrolidine

C12H16ClN — CID 168514195

IUPAC1-(3-chloro-2,6-dimethylphenyl)pyrrolidine
SMILESCc1ccc(Cl)c(C)c1N1CCCC1
InChIInChI=1S/C12H16ClN/c1-9-5-6-11(13)10(2)12(9)14-7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3
InChIKeyFKIVSSXJSVOHFI-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.56
Rot. Bonds1

About 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine

1-(3-chloro-2,6-dimethylphenyl)pyrrolidine (PubChem CID 168514195) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-2,6-dimethylphenyl)pyrrolidine
PubChem CID168514195
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-(3-chloro-2,6-dimethylphenyl)pyrrolidine
SMILESCc1ccc(Cl)c(C)c1N1CCCC1
InChIInChI=1S/C12H16ClN/c1-9-5-6-11(13)10(2)12(9)14-7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3
InChIKeyFKIVSSXJSVOHFI-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine?
The IUPAC name of 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine (CID 168514195) is 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine is Cc1ccc(Cl)c(C)c1N1CCCC1.
What is the InChIKey of 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine?
The InChIKey is FKIVSSXJSVOHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-5-6-11(13)10(2)12(9)14-7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine?
1-(3-chloro-2,6-dimethylphenyl)pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 168514195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).