(2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol

C11H17FN2O — CID 169261720

IUPAC(2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol
SMILESCC[C@@H](O)CNC(C)c1ncccc1F
InChIInChI=1S/C11H17FN2O/c1-3-9(15)7-14-8(2)11-10(12)5-4-6-13-11/h4-6,8-9,14-15H,3,7H2,1-2H3/t8?,9-/m1/s1
InChIKeyVEXBQXHTFBQLKH-YGPZHTELSA-N
MW212.27 g/mol
LogP1.64
Rot. Bonds5

About (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol

(2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol (PubChem CID 169261720) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol
PubChem CID169261720
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol
SMILESCC[C@@H](O)CNC(C)c1ncccc1F
InChIInChI=1S/C11H17FN2O/c1-3-9(15)7-14-8(2)11-10(12)5-4-6-13-11/h4-6,8-9,14-15H,3,7H2,1-2H3/t8?,9-/m1/s1
InChIKeyVEXBQXHTFBQLKH-YGPZHTELSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol?
The IUPAC name of (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol (CID 169261720) is (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol is CC[C@@H](O)CNC(C)c1ncccc1F.
What is the InChIKey of (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol?
The InChIKey is VEXBQXHTFBQLKH-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-9(15)7-14-8(2)11-10(12)5-4-6-13-11/h4-6,8-9,14-15H,3,7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol?
(2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(3-fluoro-2-pyridinyl)ethylamino]butan-2-ol is sourced from PubChem (CID 169261720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).