3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine

C16H19FN2O — CID 107660665

IUPAC3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COc1cccc(C)c1F
InChIInChI=1S/C16H19FN2O/c1-3-9-18-16-13(7-5-10-19-16)11-20-14-8-4-6-12(2)15(14)17/h4-8,10H,3,9,11H2,1-2H3,(H,18,19)
InChIKeySEIFFJBTSGTOJJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.93
Rot. Bonds6

About 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine

3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 107660665) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID107660665
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COc1cccc(C)c1F
InChIInChI=1S/C16H19FN2O/c1-3-9-18-16-13(7-5-10-19-16)11-20-14-8-4-6-12(2)15(14)17/h4-8,10H,3,9,11H2,1-2H3,(H,18,19)
InChIKeySEIFFJBTSGTOJJ-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 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine (CID 107660665) is 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1COc1cccc(C)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is SEIFFJBTSGTOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-9-18-16-13(7-5-10-19-16)11-20-14-8-4-6-12(2)15(14)17/h4-8,10H,3,9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-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 3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 107660665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).