1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol

C14H20FNO — CID 114059172

IUPAC1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1cccc(F)c1N1CCCC1(C)C
InChIInChI=1S/C14H20FNO/c1-10(17)11-6-4-7-12(15)13(11)16-9-5-8-14(16,2)3/h4,6-7,10,17H,5,8-9H2,1-3H3
InChIKeyGSVGWAMIVWGIDH-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.26
Rot. Bonds2

About 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol

1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol (PubChem CID 114059172) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
PubChem CID114059172
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1cccc(F)c1N1CCCC1(C)C
InChIInChI=1S/C14H20FNO/c1-10(17)11-6-4-7-12(15)13(11)16-9-5-8-14(16,2)3/h4,6-7,10,17H,5,8-9H2,1-3H3
InChIKeyGSVGWAMIVWGIDH-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
CID 175324243
1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol
CID 55161928
1-[2-fluoro-6-(1-hydroxyethyl)phenyl]pyrrolidine-3,4-diol
CID 114059264
2-(2,2-dimethylpyrrolidin-1-yl)-6-fluoroaniline
CID 63219611
1-[3-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 114059166
(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 114059063
(1R)-1-[3-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114059080
4-(2,2-dimethylpyrrolidin-1-yl)-3,5-difluoroaniline
CID 63215764
3-(2,2-dimethylpyrrolidin-1-yl)-2-fluoroaniline
CID 175186271
1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 114059212
1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 114059102
(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol
CID 114059199

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol (CID 114059172) is 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol is CC(O)c1cccc(F)c1N1CCCC1(C)C.
What is the InChIKey of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
The InChIKey is GSVGWAMIVWGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(17)11-6-4-7-12(15)13(11)16-9-5-8-14(16,2)3/h4,6-7,10,17H,5,8-9H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol?
1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 114059172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).