5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol

C15H23FN2O2 — CID 66056615

IUPAC5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
SMILESCC(O)c1c(F)cccc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(19)15-13(16)5-4-6-14(15)18-9-12(20)7-11(18)8-17(2)3/h4-6,10-12,19-20H,7-9H2,1-3H3
InChIKeyCHHAVJGUNZBSRN-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.38
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol (PubChem CID 66056615) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
PubChem CID66056615
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
SMILESCC(O)c1c(F)cccc1N1CC(O)CC1CN(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(19)15-13(16)5-4-6-14(15)18-9-12(20)7-11(18)8-17(2)3/h4-6,10-12,19-20H,7-9H2,1-3H3
InChIKeyCHHAVJGUNZBSRN-UHFFFAOYSA-N
XLogP1.38
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol (CID 66056615) is 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol is CC(O)c1c(F)cccc1N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is CHHAVJGUNZBSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(19)15-13(16)5-4-6-14(15)18-9-12(20)7-11(18)8-17(2)3/h4-6,10-12,19-20H,7-9H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 282.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).