[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine

C13H13FN2O — CID 79517236

IUPAC[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
SMILESCc1ccc(Oc2cccc(F)c2CN)cn1
InChIInChI=1S/C13H13FN2O/c1-9-5-6-10(8-16-9)17-13-4-2-3-12(14)11(13)7-15/h2-6,8H,7,15H2,1H3
InChIKeyJTRMOIAMLJMJNA-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.78
Rot. Bonds3

About [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine

[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine (PubChem CID 79517236) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
PubChem CID79517236
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
SMILESCc1ccc(Oc2cccc(F)c2CN)cn1
InChIInChI=1S/C13H13FN2O/c1-9-5-6-10(8-16-9)17-13-4-2-3-12(14)11(13)7-15/h2-6,8H,7,15H2,1H3
InChIKeyJTRMOIAMLJMJNA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 79517826
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 62442811

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine (CID 79517236) is [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine is Cc1ccc(Oc2cccc(F)c2CN)cn1.
What is the InChIKey of [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is JTRMOIAMLJMJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-5-6-10(8-16-9)17-13-4-2-3-12(14)11(13)7-15/h2-6,8H,7,15H2,1H3.
What are the key properties of [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 232.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 79517236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).