(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine

C11H12FNO — CID 51885329

IUPAC(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c([C@H](C)N)oc2ccc(F)cc12
InChIInChI=1S/C11H12FNO/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5,7H,13H2,1-2H3/t7-/m0/s1
InChIKeyGMYNJYUMIFYTFP-ZETCQYMHSA-N
MW193.22 g/mol
LogP2.90
Rot. Bonds1

About (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine

(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 51885329) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID51885329
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c([C@H](C)N)oc2ccc(F)cc12
InChIInChI=1S/C11H12FNO/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5,7H,13H2,1-2H3/t7-/m0/s1
InChIKeyGMYNJYUMIFYTFP-ZETCQYMHSA-N
XLogP2.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine (CID 51885329) is (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine is Cc1c([C@H](C)N)oc2ccc(F)cc12.
What is the InChIKey of (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is GMYNJYUMIFYTFP-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FNO/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5,7H,13H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 193.22 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 51885329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).