[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine

C13H13FN2O — CID 67244915

IUPAC[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
SMILESCOc1ncc(F)cc1-c1ccc(CN)cc1
InChIInChI=1S/C13H13FN2O/c1-17-13-12(6-11(14)8-16-13)10-4-2-9(7-15)3-5-10/h2-6,8H,7,15H2,1H3
InChIKeySZDDRGKUXTXXMX-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.36
Rot. Bonds3

About [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine

[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine (PubChem CID 67244915) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
PubChem CID67244915
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
SMILESCOc1ncc(F)cc1-c1ccc(CN)cc1
InChIInChI=1S/C13H13FN2O/c1-17-13-12(6-11(14)8-16-13)10-4-2-9(7-15)3-5-10/h2-6,8H,7,15H2,1H3
InChIKeySZDDRGKUXTXXMX-UHFFFAOYSA-N
XLogP2.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine 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 [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine?
The IUPAC name of [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine (CID 67244915) is [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine.
What is the SMILES notation for [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine?
The canonical SMILES for [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine is COc1ncc(F)cc1-c1ccc(CN)cc1.
What is the InChIKey of [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine?
The InChIKey is SZDDRGKUXTXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-13-12(6-11(14)8-16-13)10-4-2-9(7-15)3-5-10/h2-6,8H,7,15H2,1H3.
What are the key properties of [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine?
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine is sourced from PubChem (CID 67244915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).