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

C17H18FNO2 — CID 11403470

IUPAC[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(C)c(-c2cc(F)cc3c2OC(CN)C3)c1
InChIInChI=1S/C17H18FNO2/c1-10-3-4-13(20-2)8-15(10)16-7-12(18)5-11-6-14(9-19)21-17(11)16/h3-5,7-8,14H,6,9,19H2,1-2H3
InChIKeyKZYIMQZQESAACS-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.07
Rot. Bonds3

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

[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11403470) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11403470
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(C)c(-c2cc(F)cc3c2OC(CN)C3)c1
InChIInChI=1S/C17H18FNO2/c1-10-3-4-13(20-2)8-15(10)16-7-12(18)5-11-6-14(9-19)21-17(11)16/h3-5,7-8,14H,6,9,19H2,1-2H3
InChIKeyKZYIMQZQESAACS-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11403470) is [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1ccc(C)c(-c2cc(F)cc3c2OC(CN)C3)c1.
What is the InChIKey of [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is KZYIMQZQESAACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-10-3-4-13(20-2)8-15(10)16-7-12(18)5-11-6-14(9-19)21-17(11)16/h3-5,7-8,14H,6,9,19H2,1-2H3.
What are the key properties of [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 287.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11403470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).