2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol

C13H13FN2O — CID 20743450

IUPAC2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol
SMILESNC(c1ccnc(F)c1)C(O)c1ccccc1
InChIInChI=1S/C13H13FN2O/c14-11-8-10(6-7-16-11)12(15)13(17)9-4-2-1-3-5-9/h1-8,12-13,17H,15H2
InChIKeyIVBUTKYOBFLAFU-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol

2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol (PubChem CID 20743450) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol
PubChem CID20743450
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol
SMILESNC(c1ccnc(F)c1)C(O)c1ccccc1
InChIInChI=1S/C13H13FN2O/c14-11-8-10(6-7-16-11)12(15)13(17)9-4-2-1-3-5-9/h1-8,12-13,17H,15H2
InChIKeyIVBUTKYOBFLAFU-UHFFFAOYSA-N
XLogP1.95
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(2-fluoro-4-pyridinyl)methanediamine
CID 146521385
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466
(2S)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 55262980
2-bromo-2-(2-fluoro-4-pyridinyl)acetic acid
CID 175831126
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
2-amino-1-(2-fluoro-4-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
CID 22261630
2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol
CID 115350271

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol?
The IUPAC name of 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol (CID 20743450) is 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol.
What is the SMILES notation for 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol?
The canonical SMILES for 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol is NC(c1ccnc(F)c1)C(O)c1ccccc1.
What is the InChIKey of 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol?
The InChIKey is IVBUTKYOBFLAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-8-10(6-7-16-11)12(15)13(17)9-4-2-1-3-5-9/h1-8,12-13,17H,15H2.
What are the key properties of 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol?
2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol has a molecular weight of 232.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol is sourced from PubChem (CID 20743450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).