(2R,4S)-2-methyl-4-phenoxypyrrolidine

C11H15NO — CID 90167785

IUPAC(2R,4S)-2-methyl-4-phenoxypyrrolidine
SMILESC[C@@H]1C[C@H](Oc2ccccc2)CN1
InChIInChI=1S/C11H15NO/c1-9-7-11(8-12-9)13-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyAPFFBNCQIBQKSR-KOLCDFICSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds2

About (2R,4S)-2-methyl-4-phenoxypyrrolidine

(2R,4S)-2-methyl-4-phenoxypyrrolidine (PubChem CID 90167785) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-phenoxypyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-phenoxypyrrolidine
PubChem CID90167785
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2R,4S)-2-methyl-4-phenoxypyrrolidine
SMILESC[C@@H]1C[C@H](Oc2ccccc2)CN1
InChIInChI=1S/C11H15NO/c1-9-7-11(8-12-9)13-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyAPFFBNCQIBQKSR-KOLCDFICSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-phenoxypyrrolidine?
The IUPAC name of (2R,4S)-2-methyl-4-phenoxypyrrolidine (CID 90167785) is (2R,4S)-2-methyl-4-phenoxypyrrolidine.
What is the SMILES notation for (2R,4S)-2-methyl-4-phenoxypyrrolidine?
The canonical SMILES for (2R,4S)-2-methyl-4-phenoxypyrrolidine is C[C@@H]1C[C@H](Oc2ccccc2)CN1.
What is the InChIKey of (2R,4S)-2-methyl-4-phenoxypyrrolidine?
The InChIKey is APFFBNCQIBQKSR-KOLCDFICSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-7-11(8-12-9)13-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-4-phenoxypyrrolidine?
(2R,4S)-2-methyl-4-phenoxypyrrolidine has a molecular weight of 177.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-phenoxypyrrolidine is sourced from PubChem (CID 90167785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).