(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol

C12H17F3N2O — CID 114056004

IUPAC(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
SMILESCC(C)N(CC(F)(F)F)c1ncccc1[C@H](C)O
InChIInChI=1S/C12H17F3N2O/c1-8(2)17(7-12(13,14)15)11-10(9(3)18)5-4-6-16-11/h4-6,8-9,18H,7H2,1-3H3/t9-/m0/s1
InChIKeyYFOSIDVXHRJPLQ-VIFPVBQESA-N
MW262.27 g/mol
LogP2.91
Rot. Bonds4

About (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol

(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol (PubChem CID 114056004) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
PubChem CID114056004
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
SMILESCC(C)N(CC(F)(F)F)c1ncccc1[C@H](C)O
InChIInChI=1S/C12H17F3N2O/c1-8(2)17(7-12(13,14)15)11-10(9(3)18)5-4-6-16-11/h4-6,8-9,18H,7H2,1-3H3/t9-/m0/s1
InChIKeyYFOSIDVXHRJPLQ-VIFPVBQESA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol with MolForge

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Related Compounds

3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 78940775
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 114055969
(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
CID 114056037
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516815
(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol
CID 114056244

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol (CID 114056004) is (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol is CC(C)N(CC(F)(F)F)c1ncccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol?
The InChIKey is YFOSIDVXHRJPLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(2)17(7-12(13,14)15)11-10(9(3)18)5-4-6-16-11/h4-6,8-9,18H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol?
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol has a molecular weight of 262.27 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 (1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114056004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).