2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine

C15H23N — CID 66466956

IUPAC2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
SMILESCc1ccc(C2(C(C)C)CCCN2)c(C)c1
InChIInChI=1S/C15H23N/c1-11(2)15(8-5-9-16-15)14-7-6-12(3)10-13(14)4/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyKBUAPHDVINATPU-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.54
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine

2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine (PubChem CID 66466956) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
PubChem CID66466956
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
SMILESCc1ccc(C2(C(C)C)CCCN2)c(C)c1
InChIInChI=1S/C15H23N/c1-11(2)15(8-5-9-16-15)14-7-6-12(3)10-13(14)4/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyKBUAPHDVINATPU-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine (CID 66466956) is 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine is Cc1ccc(C2(C(C)C)CCCN2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
The InChIKey is KBUAPHDVINATPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)15(8-5-9-16-15)14-7-6-12(3)10-13(14)4/h6-7,10-11,16H,5,8-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 66466956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).