(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine

C19H23NO — CID 101077579

IUPAC(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
SMILESCOCCN1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-21-13-12-20-14-18(16-8-4-2-5-9-16)19(15-20)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19-/m0/s1
InChIKeyTVBQBSRSDVCWHU-OALUTQOASA-N
MW281.40 g/mol
LogP3.52
Rot. Bonds5

About (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine

(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine (PubChem CID 101077579) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
PubChem CID101077579
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
SMILESCOCCN1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H23NO/c1-21-13-12-20-14-18(16-8-4-2-5-9-16)19(15-20)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19-/m0/s1
InChIKeyTVBQBSRSDVCWHU-OALUTQOASA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine?
The IUPAC name of (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine (CID 101077579) is (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine.
What is the SMILES notation for (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine?
The canonical SMILES for (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine is COCCN1C[C@@H](c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine?
The InChIKey is TVBQBSRSDVCWHU-OALUTQOASA-N. The full InChI is InChI=1S/C19H23NO/c1-21-13-12-20-14-18(16-8-4-2-5-9-16)19(15-20)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine?
(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine is sourced from PubChem (CID 101077579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).