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

C17H18FNO2 — CID 11961219

IUPAC1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(OC)cc(-c3ccccc3F)c2O1
InChIInChI=1S/C17H18FNO2/c1-19-10-13-8-11-7-12(20-2)9-15(17(11)21-13)14-5-3-4-6-16(14)18/h3-7,9,13,19H,8,10H2,1-2H3
InChIKeyLLLRAABHCRKJMY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.02
Rot. Bonds4

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

1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 11961219) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID11961219
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(OC)cc(-c3ccccc3F)c2O1
InChIInChI=1S/C17H18FNO2/c1-19-10-13-8-11-7-12(20-2)9-15(17(11)21-13)14-5-3-4-6-16(14)18/h3-7,9,13,19H,8,10H2,1-2H3
InChIKeyLLLRAABHCRKJMY-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 11961219) is 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2cc(OC)cc(-c3ccccc3F)c2O1.
What is the InChIKey of 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is LLLRAABHCRKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19-10-13-8-11-7-12(20-2)9-15(17(11)21-13)14-5-3-4-6-16(14)18/h3-7,9,13,19H,8,10H2,1-2H3.
What are the key properties of 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 287.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 11961219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).