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

C13H13FN2O — CID 55031409

IUPAC[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)cc2CN)cn1
InChIInChI=1S/C13H13FN2O/c1-9-2-4-12(8-16-9)17-13-5-3-11(14)6-10(13)7-15/h2-6,8H,7,15H2,1H3
InChIKeyIXHFFSVVASTCOI-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.78
Rot. Bonds3

About [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine

[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine (PubChem CID 55031409) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
PubChem CID55031409
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)cc2CN)cn1
InChIInChI=1S/C13H13FN2O/c1-9-2-4-12(8-16-9)17-13-5-3-11(14)6-10(13)7-15/h2-6,8H,7,15H2,1H3
InChIKeyIXHFFSVVASTCOI-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-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine (CID 55031409) is [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine is Cc1ccc(Oc2ccc(F)cc2CN)cn1.
What is the InChIKey of [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is IXHFFSVVASTCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-2-4-12(8-16-9)17-13-5-3-11(14)6-10(13)7-15/h2-6,8H,7,15H2,1H3.
What are the key properties of [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine?
[5-fluoro-2-[(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 [5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 55031409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).