2,5-dimethyl-1-(3-methylphenyl)pyrrolidine

C13H19N — CID 90931230

IUPAC2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(N2C(C)CCC2C)c1
InChIInChI=1S/C13H19N/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(14)3/h4-6,9,11-12H,7-8H2,1-3H3
InChIKeyUHXMHRWDTVEAKQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.37
Rot. Bonds1

About 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine

2,5-dimethyl-1-(3-methylphenyl)pyrrolidine (PubChem CID 90931230) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
PubChem CID90931230
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(N2C(C)CCC2C)c1
InChIInChI=1S/C13H19N/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(14)3/h4-6,9,11-12H,7-8H2,1-3H3
InChIKeyUHXMHRWDTVEAKQ-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine?
The IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine (CID 90931230) is 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine is Cc1cccc(N2C(C)CCC2C)c1.
What is the InChIKey of 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine?
The InChIKey is UHXMHRWDTVEAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(14)3/h4-6,9,11-12H,7-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine?
2,5-dimethyl-1-(3-methylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 90931230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).