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

C13H13FN2O — CID 114078578

IUPAC[5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
SMILESCOc1cc(-c2ccc(F)cc2CN)ccn1
InChIInChI=1S/C13H13FN2O/c1-17-13-7-9(4-5-16-13)12-3-2-11(14)6-10(12)8-15/h2-7H,8,15H2,1H3
InChIKeyRJYNJBZGHMMNQL-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.36
Rot. Bonds3

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

[5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine (PubChem CID 114078578) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
PubChem CID114078578
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine
SMILESCOc1cc(-c2ccc(F)cc2CN)ccn1
InChIInChI=1S/C13H13FN2O/c1-17-13-7-9(4-5-16-13)12-3-2-11(14)6-10(12)8-15/h2-7H,8,15H2,1H3
InChIKeyRJYNJBZGHMMNQL-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

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine (CID 114078578) is [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine is COc1cc(-c2ccc(F)cc2CN)ccn1.
What is the InChIKey of [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
The InChIKey is RJYNJBZGHMMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-13-7-9(4-5-16-13)12-3-2-11(14)6-10(12)8-15/h2-7H,8,15H2,1H3.
What are the key properties of [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine?
[5-fluoro-2-(2-methoxy-4-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 [5-fluoro-2-(2-methoxy-4-pyridinyl)phenyl]methanamine is sourced from PubChem (CID 114078578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).