[3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol

C13H19FN2O — CID 81468558

IUPAC[3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol
SMILESCC1CC(CO)(Nc2cccc(F)c2)CN1C
InChIInChI=1S/C13H19FN2O/c1-10-7-13(9-17,8-16(10)2)15-12-5-3-4-11(14)6-12/h3-6,10,15,17H,7-9H2,1-2H3
InChIKeyILAIIJPQMQWIHP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.69
Rot. Bonds3

About [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol

[3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol (PubChem CID 81468558) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol
PubChem CID81468558
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol
SMILESCC1CC(CO)(Nc2cccc(F)c2)CN1C
InChIInChI=1S/C13H19FN2O/c1-10-7-13(9-17,8-16(10)2)15-12-5-3-4-11(14)6-12/h3-6,10,15,17H,7-9H2,1-2H3
InChIKeyILAIIJPQMQWIHP-UHFFFAOYSA-N
XLogP1.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol (CID 81468558) is [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol is CC1CC(CO)(Nc2cccc(F)c2)CN1C.
What is the InChIKey of [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is ILAIIJPQMQWIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-7-13(9-17,8-16(10)2)15-12-5-3-4-11(14)6-12/h3-6,10,15,17H,7-9H2,1-2H3.
What are the key properties of [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol?
[3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 238.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoroanilino)-1,5-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 81468558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).