2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine

C17H18FNO2 — CID 68966949

IUPAC2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3ccccc3F)c1)OC(CCN)C2
InChIInChI=1S/C17H18FNO2/c1-20-13-9-11-8-12(6-7-19)21-17(11)15(10-13)14-4-2-3-5-16(14)18/h2-5,9-10,12H,6-8,19H2,1H3
InChIKeyVWNAXXRHFPWGFO-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.15
Rot. Bonds4

About 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine

2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 68966949) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID68966949
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3ccccc3F)c1)OC(CCN)C2
InChIInChI=1S/C17H18FNO2/c1-20-13-9-11-8-12(6-7-19)21-17(11)15(10-13)14-4-2-3-5-16(14)18/h2-5,9-10,12H,6-8,19H2,1H3
InChIKeyVWNAXXRHFPWGFO-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 68966949) is 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is COc1cc2c(c(-c3ccccc3F)c1)OC(CCN)C2.
What is the InChIKey of 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The InChIKey is VWNAXXRHFPWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-13-9-11-8-12(6-7-19)21-17(11)15(10-13)14-4-2-3-5-16(14)18/h2-5,9-10,12H,6-8,19H2,1H3.
What are the key properties of 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 68966949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).