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

C17H18FNO3 — CID 11381133

IUPAC[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1cccc(-c2cc(F)cc3c2OC(CN)C3)c1OC
InChIInChI=1S/C17H18FNO3/c1-20-15-5-3-4-13(17(15)21-2)14-8-11(18)6-10-7-12(9-19)22-16(10)14/h3-6,8,12H,7,9,19H2,1-2H3
InChIKeyAUSWJMCNIXYCAH-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.77
Rot. Bonds4

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

[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11381133) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11381133
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1cccc(-c2cc(F)cc3c2OC(CN)C3)c1OC
InChIInChI=1S/C17H18FNO3/c1-20-15-5-3-4-13(17(15)21-2)14-8-11(18)6-10-7-12(9-19)22-16(10)14/h3-6,8,12H,7,9,19H2,1-2H3
InChIKeyAUSWJMCNIXYCAH-UHFFFAOYSA-N
XLogP2.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11381133) is [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1cccc(-c2cc(F)cc3c2OC(CN)C3)c1OC.
What is the InChIKey of [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is AUSWJMCNIXYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-20-15-5-3-4-13(17(15)21-2)14-8-11(18)6-10-7-12(9-19)22-16(10)14/h3-6,8,12H,7,9,19H2,1-2H3.
What are the key properties of [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 303.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11381133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).