1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol

C13H18FNO — CID 61226994

IUPAC1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC1CCN(c2ccc(F)cc2C(C)O)C1
InChIInChI=1S/C13H18FNO/c1-9-5-6-15(8-9)13-4-3-11(14)7-12(13)10(2)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyWLIWDTDIYHEKJW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.73
Rot. Bonds2

About 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol

1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 61226994) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID61226994
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC1CCN(c2ccc(F)cc2C(C)O)C1
InChIInChI=1S/C13H18FNO/c1-9-5-6-15(8-9)13-4-3-11(14)7-12(13)10(2)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyWLIWDTDIYHEKJW-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 78939196
1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659
(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 63371801
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
CID 61226990
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372745
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097570

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol (CID 61226994) is 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol is CC1CCN(c2ccc(F)cc2C(C)O)C1.
What is the InChIKey of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is WLIWDTDIYHEKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-6-15(8-9)13-4-3-11(14)7-12(13)10(2)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol?
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 61226994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).