(2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine

C13H19N — CID 7021948

IUPAC(2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(N2[C@H](C)CC[C@@H]2C)cc1
InChIInChI=1S/C13H19N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h4-5,8-9,11-12H,6-7H2,1-3H3/t11-,12+
InChIKeyOHIJQLBIZQGOKQ-TXEJJXNPSA-N
MW189.30 g/mol
LogP3.37
Rot. Bonds1

About (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine

(2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine (PubChem CID 7021948) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine
PubChem CID7021948
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(N2[C@H](C)CC[C@@H]2C)cc1
InChIInChI=1S/C13H19N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h4-5,8-9,11-12H,6-7H2,1-3H3/t11-,12+
InChIKeyOHIJQLBIZQGOKQ-TXEJJXNPSA-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 (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine?
The IUPAC name of (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine (CID 7021948) is (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine.
What is the SMILES notation for (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine?
The canonical SMILES for (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine is Cc1ccc(N2[C@H](C)CC[C@@H]2C)cc1.
What is the InChIKey of (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine?
The InChIKey is OHIJQLBIZQGOKQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H19N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h4-5,8-9,11-12H,6-7H2,1-3H3/t11-,12+.
What are the key properties of (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine?
(2R,5S)-2,5-dimethyl-1-(4-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 (2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine is sourced from PubChem (CID 7021948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).