(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol

C16H19FN2O — CID 78939866

IUPAC(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CCc1ccncc1
InChIInChI=1S/C16H19FN2O/c1-12(20)16-14(17)4-3-5-15(16)19(2)11-8-13-6-9-18-10-7-13/h3-7,9-10,12,20H,8,11H2,1-2H3/t12-/m0/s1
InChIKeyONLZIGVDBDNQEN-LBPRGKRZSA-N
MW274.34 g/mol
LogP2.95
Rot. Bonds5

About (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol

(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol (PubChem CID 78939866) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
PubChem CID78939866
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)CCc1ccncc1
InChIInChI=1S/C16H19FN2O/c1-12(20)16-14(17)4-3-5-15(16)19(2)11-8-13-6-9-18-10-7-13/h3-7,9-10,12,20H,8,11H2,1-2H3/t12-/m0/s1
InChIKeyONLZIGVDBDNQEN-LBPRGKRZSA-N
XLogP2.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanol
CID 61448699
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]propanenitrile
CID 43506029
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793780
(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
CID 55183938
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63965516
(1R)-1-[2-fluoro-6-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 78955151

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol (CID 78939866) is (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol is C[C@H](O)c1c(F)cccc1N(C)CCc1ccncc1.
What is the InChIKey of (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol?
The InChIKey is ONLZIGVDBDNQEN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12(20)16-14(17)4-3-5-15(16)19(2)11-8-13-6-9-18-10-7-13/h3-7,9-10,12,20H,8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol has a molecular weight of 274.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[methyl(2-pyridin-4-ylethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78939866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).