(2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine

C13H19NO — CID 122185340

IUPAC(2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine
SMILESC[C@@H](Oc1ccccc1)[C@@H]1CCCN1C
InChIInChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyUOPNAMLYCDNDDL-YPMHNXCESA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds3

About (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine

(2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine (PubChem CID 122185340) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine
PubChem CID122185340
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine
SMILESC[C@@H](Oc1ccccc1)[C@@H]1CCCN1C
InChIInChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyUOPNAMLYCDNDDL-YPMHNXCESA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine (CID 122185340) is (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine is C[C@@H](Oc1ccccc1)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine?
The InChIKey is UOPNAMLYCDNDDL-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine?
(2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[(1R)-1-phenoxyethyl]pyrrolidine is sourced from PubChem (CID 122185340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).