N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine

C14H15FN2O — CID 107662726

IUPACN-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
SMILESCCNc1cccc(Oc2cccc(C)c2F)n1
InChIInChI=1S/C14H15FN2O/c1-3-16-12-8-5-9-13(17-12)18-11-7-4-6-10(2)14(11)15/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyNHLSCUMBGMLQKK-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.75
Rot. Bonds4

About N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine

N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine (PubChem CID 107662726) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
PubChem CID107662726
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC NameN-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
SMILESCCNc1cccc(Oc2cccc(C)c2F)n1
InChIInChI=1S/C14H15FN2O/c1-3-16-12-8-5-9-13(17-12)18-11-7-4-6-10(2)14(11)15/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyNHLSCUMBGMLQKK-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine (CID 107662726) is N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine is CCNc1cccc(Oc2cccc(C)c2F)n1.
What is the InChIKey of N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine?
The InChIKey is NHLSCUMBGMLQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-16-12-8-5-9-13(17-12)18-11-7-4-6-10(2)14(11)15/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine?
N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine has a molecular weight of 246.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine is sourced from PubChem (CID 107662726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).