(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol

C15H17FN2O — CID 63371131

IUPAC(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)Cc1ccncc1
InChIInChI=1S/C15H17FN2O/c1-11(19)14-9-13(16)3-4-15(14)18(2)10-12-5-7-17-8-6-12/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyIBHWMNGONSAKRL-LLVKDONJSA-N
MW260.31 g/mol
LogP2.91
Rot. Bonds4

About (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol

(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol (PubChem CID 63371131) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
PubChem CID63371131
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(C)Cc1ccncc1
InChIInChI=1S/C15H17FN2O/c1-11(19)14-9-13(16)3-4-15(14)18(2)10-12-5-7-17-8-6-12/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyIBHWMNGONSAKRL-LLVKDONJSA-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

(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
(1R)-1-[5-fluoro-2-[methyl-[(4-methylphenyl)methyl]amino]phenyl]ethanol
CID 63370651
(1S)-1-[5-fluoro-2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanol
CID 78939923
(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 78941099
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
1-[5-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]ethanol
CID 55013782
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 82970103
(1R)-1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluorophenyl]ethanol
CID 78940158
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
4-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 61413072

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol (CID 63371131) is (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol is C[C@@H](O)c1cc(F)ccc1N(C)Cc1ccncc1.
What is the InChIKey of (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol?
The InChIKey is IBHWMNGONSAKRL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(19)14-9-13(16)3-4-15(14)18(2)10-12-5-7-17-8-6-12/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol?
(1R)-1-[5-fluoro-2-[methyl(pyridin-4-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 (1R)-1-[5-fluoro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 63371131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).