[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol

C12H17FN2O — CID 117012349

IUPAC[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
SMILESCNC1(CO)CCN(c2cccc(F)c2)C1
InChIInChI=1S/C12H17FN2O/c1-14-12(9-16)5-6-15(8-12)11-4-2-3-10(13)7-11/h2-4,7,14,16H,5-6,8-9H2,1H3
InChIKeyYIAUORWBLAJXPZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.99
Rot. Bonds3

About [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol

[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol (PubChem CID 117012349) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
PubChem CID117012349
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
SMILESCNC1(CO)CCN(c2cccc(F)c2)C1
InChIInChI=1S/C12H17FN2O/c1-14-12(9-16)5-6-15(8-12)11-4-2-3-10(13)7-11/h2-4,7,14,16H,5-6,8-9H2,1H3
InChIKeyYIAUORWBLAJXPZ-UHFFFAOYSA-N
XLogP0.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol (CID 117012349) is [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol is CNC1(CO)CCN(c2cccc(F)c2)C1.
What is the InChIKey of [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
The InChIKey is YIAUORWBLAJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-14-12(9-16)5-6-15(8-12)11-4-2-3-10(13)7-11/h2-4,7,14,16H,5-6,8-9H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).