2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol

C15H17FN2O — CID 78928576

IUPAC2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCCc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2O/c1-11-5-6-15(19)14(18-11)10-17-8-7-12-3-2-4-13(16)9-12/h2-6,9,17,19H,7-8,10H2,1H3
InChIKeyXRQYCZOVRQURKF-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.57
Rot. Bonds5

About 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol

2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928576) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol
PubChem CID78928576
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCCc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2O/c1-11-5-6-15(19)14(18-11)10-17-8-7-12-3-2-4-13(16)9-12/h2-6,9,17,19H,7-8,10H2,1H3
InChIKeyXRQYCZOVRQURKF-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-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 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol (CID 78928576) is 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCCc2cccc(F)c2)n1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is XRQYCZOVRQURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-5-6-15(19)14(18-11)10-17-8-7-12-3-2-4-13(16)9-12/h2-6,9,17,19H,7-8,10H2,1H3.
What are the key properties of 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol?
2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 260.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).