[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine

C13H13FN2O — CID 54966138

IUPAC[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cncc(F)c2)cc1CN
InChIInChI=1S/C13H13FN2O/c1-17-13-3-2-9(4-10(13)6-15)11-5-12(14)8-16-7-11/h2-5,7-8H,6,15H2,1H3
InChIKeyFJJUOXZGWFRUIR-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.36
Rot. Bonds3

About [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine

[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine (PubChem CID 54966138) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
PubChem CID54966138
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2cncc(F)c2)cc1CN
InChIInChI=1S/C13H13FN2O/c1-17-13-3-2-9(4-10(13)6-15)11-5-12(14)8-16-7-11/h2-5,7-8H,6,15H2,1H3
InChIKeyFJJUOXZGWFRUIR-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-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine (CID 54966138) is [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine is COc1ccc(-c2cncc(F)c2)cc1CN.
What is the InChIKey of [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine?
The InChIKey is FJJUOXZGWFRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-13-3-2-9(4-10(13)6-15)11-5-12(14)8-16-7-11/h2-5,7-8H,6,15H2,1H3.
What are the key properties of [5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine?
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]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-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 54966138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).