(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine

C15H14FNOS — CID 55147653

IUPAC(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2oc3cc(F)ccc3c2C)s1
InChIInChI=1S/C15H14FNOS/c1-8-3-6-13(19-8)14(17)15-9(2)11-5-4-10(16)7-12(11)18-15/h3-7,14H,17H2,1-2H3
InChIKeyQBVFHPXJXNCABE-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.30
Rot. Bonds2

About (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine

(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 55147653) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine
PubChem CID55147653
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2oc3cc(F)ccc3c2C)s1
InChIInChI=1S/C15H14FNOS/c1-8-3-6-13(19-8)14(17)15-9(2)11-5-4-10(16)7-12(11)18-15/h3-7,14H,17H2,1-2H3
InChIKeyQBVFHPXJXNCABE-UHFFFAOYSA-N
XLogP4.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine (CID 55147653) is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2oc3cc(F)ccc3c2C)s1.
What is the InChIKey of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is QBVFHPXJXNCABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-8-3-6-13(19-8)14(17)15-9(2)11-5-4-10(16)7-12(11)18-15/h3-7,14H,17H2,1-2H3.
What are the key properties of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine?
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 275.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 55147653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).