(2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine

C20H25NO — CID 24936098

IUPAC(2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine
SMILESC[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m1/s1
InChIKeyURXBXRUUVSTMJM-QGZVFWFLSA-N
MW295.43 g/mol
LogP4.29
Rot. Bonds6

About (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine

(2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine (PubChem CID 24936098) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine
PubChem CID24936098
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine
SMILESC[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m1/s1
InChIKeyURXBXRUUVSTMJM-QGZVFWFLSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine?
The IUPAC name of (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine (CID 24936098) is (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine is C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine?
The InChIKey is URXBXRUUVSTMJM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine?
(2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine has a molecular weight of 295.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 24936098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).