2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine

C16H19FN2O — CID 79260153

IUPAC2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2cc(C)ccc2F)c1
InChIInChI=1S/C16H19FN2O/c1-3-7-18-13-6-8-19-14(10-13)11-20-16-9-12(2)4-5-15(16)17/h4-6,8-10H,3,7,11H2,1-2H3,(H,18,19)
InChIKeyTZBVHZQFVVBXEE-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.93
Rot. Bonds6

About 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine

2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine (PubChem CID 79260153) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
PubChem CID79260153
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2cc(C)ccc2F)c1
InChIInChI=1S/C16H19FN2O/c1-3-7-18-13-6-8-19-14(10-13)11-20-16-9-12(2)4-5-15(16)17/h4-6,8-10H,3,7,11H2,1-2H3,(H,18,19)
InChIKeyTZBVHZQFVVBXEE-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.93
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)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine (CID 79260153) is 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(COc2cc(C)ccc2F)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine?
The InChIKey is TZBVHZQFVVBXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-7-18-13-6-8-19-14(10-13)11-20-16-9-12(2)4-5-15(16)17/h4-6,8-10H,3,7,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine?
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 3.93, 6 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)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79260153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).