2,4-dimethyl-3-phenylpyrrolidine

C12H17N — CID 130987644

IUPAC2,4-dimethyl-3-phenylpyrrolidine
SMILESCC1CNC(C)C1c1ccccc1
InChIInChI=1S/C12H17N/c1-9-8-13-10(2)12(9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKeyVBIJRVZWPSMDJZ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.40
Rot. Bonds1

About 2,4-dimethyl-3-phenylpyrrolidine

2,4-dimethyl-3-phenylpyrrolidine (PubChem CID 130987644) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2,4-dimethyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name2,4-dimethyl-3-phenylpyrrolidine
PubChem CID130987644
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2,4-dimethyl-3-phenylpyrrolidine
SMILESCC1CNC(C)C1c1ccccc1
InChIInChI=1S/C12H17N/c1-9-8-13-10(2)12(9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKeyVBIJRVZWPSMDJZ-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-phenylpyrrolidine?
The IUPAC name of 2,4-dimethyl-3-phenylpyrrolidine (CID 130987644) is 2,4-dimethyl-3-phenylpyrrolidine.
What is the SMILES notation for 2,4-dimethyl-3-phenylpyrrolidine?
The canonical SMILES for 2,4-dimethyl-3-phenylpyrrolidine is CC1CNC(C)C1c1ccccc1.
What is the InChIKey of 2,4-dimethyl-3-phenylpyrrolidine?
The InChIKey is VBIJRVZWPSMDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-8-13-10(2)12(9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-3-phenylpyrrolidine?
2,4-dimethyl-3-phenylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-phenylpyrrolidine is sourced from PubChem (CID 130987644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).