2-(2,5-dimethylphenyl)pyrrolidine

C12H17N — CID 4715076

IUPAC2-(2,5-dimethylphenyl)pyrrolidine
SMILESCc1ccc(C)c(C2CCCN2)c1
InChIInChI=1S/C12H17N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyYDFGECBUKLAMHF-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.73
Rot. Bonds1

About 2-(2,5-dimethylphenyl)pyrrolidine

2-(2,5-dimethylphenyl)pyrrolidine (PubChem CID 4715076) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)pyrrolidine
PubChem CID4715076
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-(2,5-dimethylphenyl)pyrrolidine
SMILESCc1ccc(C)c(C2CCCN2)c1
InChIInChI=1S/C12H17N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyYDFGECBUKLAMHF-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)pyrrolidine?
The IUPAC name of 2-(2,5-dimethylphenyl)pyrrolidine (CID 4715076) is 2-(2,5-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)pyrrolidine?
The canonical SMILES for 2-(2,5-dimethylphenyl)pyrrolidine is Cc1ccc(C)c(C2CCCN2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)pyrrolidine?
The InChIKey is YDFGECBUKLAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-6-10(2)11(8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)pyrrolidine?
2-(2,5-dimethylphenyl)pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 4715076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).