1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol

C15H23FN2O — CID 81475031

IUPAC1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H23FN2O/c1-10-8-18(9-14(10)17(3)4)13-7-5-6-12(16)15(13)11(2)19/h5-7,10-11,14,19H,8-9H2,1-4H3
InChIKeyDNASFJVCHLYEFQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.27
Rot. Bonds3

About 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol

1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol (PubChem CID 81475031) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol
PubChem CID81475031
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol
SMILESCC(O)c1c(F)cccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H23FN2O/c1-10-8-18(9-14(10)17(3)4)13-7-5-6-12(16)15(13)11(2)19/h5-7,10-11,14,19H,8-9H2,1-4H3
InChIKeyDNASFJVCHLYEFQ-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438
1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 43505903
(1R)-1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55184646
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 78941188
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 81465371
(1R)-1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-fluoro-4-methylphenyl]ethanol
CID 81475263
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 78946556
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol (CID 81475031) is 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol is CC(O)c1c(F)cccc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol?
The InChIKey is DNASFJVCHLYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-8-18(9-14(10)17(3)4)13-7-5-6-12(16)15(13)11(2)19/h5-7,10-11,14,19H,8-9H2,1-4H3.
What are the key properties of 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol?
1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol is sourced from PubChem (CID 81475031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).