(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol

C15H17FN2O — CID 103894880

IUPAC(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O/c1-11(14-8-7-13(16)9-17-14)18-15(10-19)12-5-3-2-4-6-12/h2-9,11,15,18-19H,10H2,1H3/t11?,15-/m1/s1
InChIKeyWRBZINJYKCOHMP-JOPIAHFSSA-N
MW260.31 g/mol
LogP2.60
Rot. Bonds5

About (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol

(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol (PubChem CID 103894880) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
PubChem CID103894880
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
SMILESCC(N[C@H](CO)c1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O/c1-11(14-8-7-13(16)9-17-14)18-15(10-19)12-5-3-2-4-6-12/h2-9,11,15,18-19H,10H2,1H3/t11?,15-/m1/s1
InChIKeyWRBZINJYKCOHMP-JOPIAHFSSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
CID 83119608
N-[cyclopropyl(phenyl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117763
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
CID 83119801
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115886385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol (CID 103894880) is (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol is CC(N[C@H](CO)c1ccccc1)c1ccc(F)cn1.
What is the InChIKey of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol?
The InChIKey is WRBZINJYKCOHMP-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(14-8-7-13(16)9-17-14)18-15(10-19)12-5-3-2-4-6-12/h2-9,11,15,18-19H,10H2,1H3/t11?,15-/m1/s1.
What are the key properties of (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol?
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol has a molecular weight of 260.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103894880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).