1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol

C14H20FNO — CID 55161928

IUPAC1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N1CCCC1(C)C
InChIInChI=1S/C14H20FNO/c1-10(17)12-9-11(15)5-6-13(12)16-8-4-7-14(16,2)3/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyWDBHJKUETYVBCV-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.26
Rot. Bonds2

About 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol

1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol (PubChem CID 55161928) 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)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol
PubChem CID55161928
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N1CCCC1(C)C
InChIInChI=1S/C14H20FNO/c1-10(17)12-9-11(15)5-6-13(12)16-8-4-7-14(16,2)3/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyWDBHJKUETYVBCV-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

(1R)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 63371183
(1S)-1-[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]ethanol
CID 78940058
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097570
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 63217806
4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946531
(1R)-1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 78941205
1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 114059172
(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 78939384
3-(difluoromethyl)-4-(2,2-dimethylpyrrolidin-1-yl)aniline
CID 63733952
1-[4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-1-yl]ethanone
CID 78940715
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 63371801
(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 78939196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol (CID 55161928) is 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1N1CCCC1(C)C.
What is the InChIKey of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol?
The InChIKey is WDBHJKUETYVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(17)12-9-11(15)5-6-13(12)16-8-4-7-14(16,2)3/h5-6,9-10,17H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]ethanol?
1-[2-(2,2-dimethylpyrrolidin-1-yl)-5-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)-5-fluorophenyl]ethanol is sourced from PubChem (CID 55161928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).