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

C14H15FN2O — CID 64853407

IUPAC[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1ccc(F)c(Oc2nc(C)ccc2CN)c1
InChIInChI=1S/C14H15FN2O/c1-9-3-6-12(15)13(7-9)18-14-11(8-16)5-4-10(2)17-14/h3-7H,8,16H2,1-2H3
InChIKeyYWJKVBNUOKEAQV-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.09
Rot. Bonds3

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

[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine (PubChem CID 64853407) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine
PubChem CID64853407
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1ccc(F)c(Oc2nc(C)ccc2CN)c1
InChIInChI=1S/C14H15FN2O/c1-9-3-6-12(15)13(7-9)18-14-11(8-16)5-4-10(2)17-14/h3-7H,8,16H2,1-2H3
InChIKeyYWJKVBNUOKEAQV-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine (CID 64853407) is [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine is Cc1ccc(F)c(Oc2nc(C)ccc2CN)c1.
What is the InChIKey of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is YWJKVBNUOKEAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-3-6-12(15)13(7-9)18-14-11(8-16)5-4-10(2)17-14/h3-7H,8,16H2,1-2H3.
What are the key properties of [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine?
[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 246.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 64853407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).