1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one

C21H25FN2O2 — CID 142781181

IUPAC1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2ccc(OCc3ccccc3F)cc2)C1
InChIInChI=1S/C21H25FN2O2/c1-2-21(25)24-12-11-18(14-24)23-13-16-7-9-19(10-8-16)26-15-17-5-3-4-6-20(17)22/h3-10,18,23H,2,11-15H2,1H3
InChIKeyRGBSDVTXYLXMAX-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.51
Rot. Bonds7

About 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one

1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one (PubChem CID 142781181) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one
PubChem CID142781181
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2ccc(OCc3ccccc3F)cc2)C1
InChIInChI=1S/C21H25FN2O2/c1-2-21(25)24-12-11-18(14-24)23-13-16-7-9-19(10-8-16)26-15-17-5-3-4-6-20(17)22/h3-10,18,23H,2,11-15H2,1H3
InChIKeyRGBSDVTXYLXMAX-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one (CID 142781181) is 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(NCc2ccc(OCc3ccccc3F)cc2)C1.
What is the InChIKey of 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is RGBSDVTXYLXMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-21(25)24-12-11-18(14-24)23-13-16-7-9-19(10-8-16)26-15-17-5-3-4-6-20(17)22/h3-10,18,23H,2,11-15H2,1H3.
What are the key properties of 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one?
1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 356.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 142781181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).