(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol

C12H19FN2O — CID 103788116

IUPAC(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(N[C@H](CO)C(C)C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-8(2)12(7-16)15-9(3)10-4-11(13)6-14-5-10/h4-6,8-9,12,15-16H,7H2,1-3H3/t9?,12-/m1/s1
InChIKeyISMKWEAFUHHREH-FFFFSGIJSA-N
MW226.29 g/mol
LogP1.89
Rot. Bonds5

About (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol

(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 103788116) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol
PubChem CID103788116
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(N[C@H](CO)C(C)C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-8(2)12(7-16)15-9(3)10-4-11(13)6-14-5-10/h4-6,8-9,12,15-16H,7H2,1-3H3/t9?,12-/m1/s1
InChIKeyISMKWEAFUHHREH-FFFFSGIJSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-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 (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol (CID 103788116) is (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol is CC(N[C@H](CO)C(C)C)c1cncc(F)c1.
What is the InChIKey of (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is ISMKWEAFUHHREH-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8(2)12(7-16)15-9(3)10-4-11(13)6-14-5-10/h4-6,8-9,12,15-16H,7H2,1-3H3/t9?,12-/m1/s1.
What are the key properties of (2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol?
(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 1.89, 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-3-pyridinyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 103788116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).