1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol

C15H17FN2O — CID 43563565

IUPAC1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1cccnc1
InChIInChI=1S/C15H17FN2O/c1-11(19)15-13(16)6-3-7-14(15)18(2)10-12-5-4-8-17-9-12/h3-9,11,19H,10H2,1-2H3
InChIKeyHHQSQQYCXMWOPR-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol

1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol (PubChem CID 43563565) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
PubChem CID43563565
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N(C)Cc1cccnc1
InChIInChI=1S/C15H17FN2O/c1-11(19)15-13(16)6-3-7-14(15)18(2)10-12-5-4-8-17-9-12/h3-9,11,19H,10H2,1-2H3
InChIKeyHHQSQQYCXMWOPR-UHFFFAOYSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
CID 78939866
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
CID 63371123
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
2-(bromomethyl)-6-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 114067675
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol (CID 43563565) is 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol is CC(O)c1c(F)cccc1N(C)Cc1cccnc1.
What is the InChIKey of 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
The InChIKey is HHQSQQYCXMWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(19)15-13(16)6-3-7-14(15)18(2)10-12-5-4-8-17-9-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol?
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol has a molecular weight of 260.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 43563565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).