[7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H16FNO2 — CID 56721982

IUPAC[7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2OC(CN)C3)cc1F
InChIInChI=1S/C16H16FNO2/c1-19-15-6-5-10(8-14(15)17)13-4-2-3-11-7-12(9-18)20-16(11)13/h2-6,8,12H,7,9,18H2,1H3
InChIKeyHSQBYAMLGRKPKO-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.76
Rot. Bonds3

About [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56721982) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56721982
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name[7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2OC(CN)C3)cc1F
InChIInChI=1S/C16H16FNO2/c1-19-15-6-5-10(8-14(15)17)13-4-2-3-11-7-12(9-18)20-16(11)13/h2-6,8,12H,7,9,18H2,1H3
InChIKeyHSQBYAMLGRKPKO-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56721982) is [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1ccc(-c2cccc3c2OC(CN)C3)cc1F.
What is the InChIKey of [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is HSQBYAMLGRKPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-19-15-6-5-10(8-14(15)17)13-4-2-3-11-7-12(9-18)20-16(11)13/h2-6,8,12H,7,9,18H2,1H3.
What are the key properties of [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 273.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56721982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).