1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine

C12H14FNO — CID 107662182

IUPAC1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(C)c(F)c2o1
InChIInChI=1S/C12H14FNO/c1-7-4-5-9-6-10(8(2)14-3)15-12(9)11(7)13/h4-6,8,14H,1-3H3
InChIKeyJAKUSQQNJBHNKE-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.16
Rot. Bonds2

About 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine

1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 107662182) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID107662182
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(C)c(F)c2o1
InChIInChI=1S/C12H14FNO/c1-7-4-5-9-6-10(8(2)14-3)15-12(9)11(7)13/h4-6,8,14H,1-3H3
InChIKeyJAKUSQQNJBHNKE-UHFFFAOYSA-N
XLogP3.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine (CID 107662182) is 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1cc2ccc(C)c(F)c2o1.
What is the InChIKey of 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is JAKUSQQNJBHNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7-4-5-9-6-10(8(2)14-3)15-12(9)11(7)13/h4-6,8,14H,1-3H3.
What are the key properties of 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine?
1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 207.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 107662182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).