3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine

C14H21N — CID 62354775

IUPAC3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine
SMILESCc1cc(C)cc(C2CCNC2(C)C)c1
InChIInChI=1S/C14H21N/c1-10-7-11(2)9-12(8-10)13-5-6-15-14(13,3)4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyXQQDLEVKJKUPAK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds1

About 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine

3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine (PubChem CID 62354775) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine
PubChem CID62354775
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine
SMILESCc1cc(C)cc(C2CCNC2(C)C)c1
InChIInChI=1S/C14H21N/c1-10-7-11(2)9-12(8-10)13-5-6-15-14(13,3)4/h7-9,13,15H,5-6H2,1-4H3
InChIKeyXQQDLEVKJKUPAK-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine (CID 62354775) is 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine is Cc1cc(C)cc(C2CCNC2(C)C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine?
The InChIKey is XQQDLEVKJKUPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-7-11(2)9-12(8-10)13-5-6-15-14(13,3)4/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine?
3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 62354775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).