1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine

C15H18FNOS — CID 107656259

IUPAC1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(Oc1cccc(C)c1F)c1ccsc1
InChIInChI=1S/C15H18FNOS/c1-3-12(17)15(11-7-8-19-9-11)18-13-6-4-5-10(2)14(13)16/h4-9,12,15H,3,17H2,1-2H3
InChIKeyPRNKXPHJNSNCNL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.05
Rot. Bonds5

About 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine

1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine (PubChem CID 107656259) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine
PubChem CID107656259
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(Oc1cccc(C)c1F)c1ccsc1
InChIInChI=1S/C15H18FNOS/c1-3-12(17)15(11-7-8-19-9-11)18-13-6-4-5-10(2)14(13)16/h4-9,12,15H,3,17H2,1-2H3
InChIKeyPRNKXPHJNSNCNL-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine (CID 107656259) is 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine is CCC(N)C(Oc1cccc(C)c1F)c1ccsc1.
What is the InChIKey of 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine?
The InChIKey is PRNKXPHJNSNCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-12(17)15(11-7-8-19-9-11)18-13-6-4-5-10(2)14(13)16/h4-9,12,15H,3,17H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine?
1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenoxy)-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 107656259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).