[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H16FNO — CID 68961723

IUPAC[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ccccc1-c1cc(F)c2c(c1)CC(CN)O2
InChIInChI=1S/C16H16FNO/c1-10-4-2-3-5-14(10)11-6-12-7-13(9-18)19-16(12)15(17)8-11/h2-6,8,13H,7,9,18H2,1H3
InChIKeyJSYQUDKNKQVEOH-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.06
Rot. Bonds2

About [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 68961723) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID68961723
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ccccc1-c1cc(F)c2c(c1)CC(CN)O2
InChIInChI=1S/C16H16FNO/c1-10-4-2-3-5-14(10)11-6-12-7-13(9-18)19-16(12)15(17)8-11/h2-6,8,13H,7,9,18H2,1H3
InChIKeyJSYQUDKNKQVEOH-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 68961723) is [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1ccccc1-c1cc(F)c2c(c1)CC(CN)O2.
What is the InChIKey of [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is JSYQUDKNKQVEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-4-2-3-5-14(10)11-6-12-7-13(9-18)19-16(12)15(17)8-11/h2-6,8,13H,7,9,18H2,1H3.
What are the key properties of [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 68961723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).