1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine

C15H18FNOS — CID 107779937

IUPAC1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
SMILESCCC(N)C(Sc1ccoc1C)c1cccc(F)c1
InChIInChI=1S/C15H18FNOS/c1-3-13(17)15(11-5-4-6-12(16)9-11)19-14-7-8-18-10(14)2/h4-9,13,15H,3,17H2,1-2H3
InChIKeyMDXWTILUKDRZDG-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.30
Rot. Bonds5

About 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine

1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine (PubChem CID 107779937) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
PubChem CID107779937
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
SMILESCCC(N)C(Sc1ccoc1C)c1cccc(F)c1
InChIInChI=1S/C15H18FNOS/c1-3-13(17)15(11-5-4-6-12(16)9-11)19-14-7-8-18-10(14)2/h4-9,13,15H,3,17H2,1-2H3
InChIKeyMDXWTILUKDRZDG-UHFFFAOYSA-N
XLogP4.30
TPSA39.16 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine (CID 107779937) is 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine is CCC(N)C(Sc1ccoc1C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
The InChIKey is MDXWTILUKDRZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-13(17)15(11-5-4-6-12(16)9-11)19-14-7-8-18-10(14)2/h4-9,13,15H,3,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine?
1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine is sourced from PubChem (CID 107779937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).