3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

C11H17FN2O — CID 61314147

IUPAC3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2O/c1-9(2)14(6-3-7-15)11-5-4-10(12)8-13-11/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyKZQZQGANUIPWKE-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.82
Rot. Bonds5

About 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (PubChem CID 61314147) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
PubChem CID61314147
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccc(F)cn1
InChIInChI=1S/C11H17FN2O/c1-9(2)14(6-3-7-15)11-5-4-10(12)8-13-11/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyKZQZQGANUIPWKE-UHFFFAOYSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-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 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (CID 61314147) is 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1ccc(F)cn1.
What is the InChIKey of 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The InChIKey is KZQZQGANUIPWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-9(2)14(6-3-7-15)11-5-4-10(12)8-13-11/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 61314147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).