3-benzhydryloxy-1-propylpyrrolidine

C20H25NO — CID 3025176

IUPAC3-benzhydryloxy-1-propylpyrrolidine
SMILESCCCN1CCC(OC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25NO/c1-2-14-21-15-13-19(16-21)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3
InChIKeyAMFUILNWFICSTI-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.28
Rot. Bonds6

About 3-benzhydryloxy-1-propylpyrrolidine

3-benzhydryloxy-1-propylpyrrolidine (PubChem CID 3025176) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-benzhydryloxy-1-propylpyrrolidine.

Molecular Properties

Compound Name3-benzhydryloxy-1-propylpyrrolidine
PubChem CID3025176
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-benzhydryloxy-1-propylpyrrolidine
SMILESCCCN1CCC(OC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H25NO/c1-2-14-21-15-13-19(16-21)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3
InChIKeyAMFUILNWFICSTI-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-1-propylpyrrolidine?
The IUPAC name of 3-benzhydryloxy-1-propylpyrrolidine (CID 3025176) is 3-benzhydryloxy-1-propylpyrrolidine.
What is the SMILES notation for 3-benzhydryloxy-1-propylpyrrolidine?
The canonical SMILES for 3-benzhydryloxy-1-propylpyrrolidine is CCCN1CCC(OC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-benzhydryloxy-1-propylpyrrolidine?
The InChIKey is AMFUILNWFICSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-14-21-15-13-19(16-21)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3.
What are the key properties of 3-benzhydryloxy-1-propylpyrrolidine?
3-benzhydryloxy-1-propylpyrrolidine has a molecular weight of 295.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-1-propylpyrrolidine is sourced from PubChem (CID 3025176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).