[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine

C17H18FNO2 — CID 79516769

IUPAC[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine
SMILESCC1(C)Cc2cccc(Oc3cccc(F)c3CN)c2O1
InChIInChI=1S/C17H18FNO2/c1-17(2)9-11-5-3-8-15(16(11)21-17)20-14-7-4-6-13(18)12(14)10-19/h3-8H,9-10,19H2,1-2H3
InChIKeyHVZALKWSDJIAAI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.79
Rot. Bonds3

About [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine

[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine (PubChem CID 79516769) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine
PubChem CID79516769
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine
SMILESCC1(C)Cc2cccc(Oc3cccc(F)c3CN)c2O1
InChIInChI=1S/C17H18FNO2/c1-17(2)9-11-5-3-8-15(16(11)21-17)20-14-7-4-6-13(18)12(14)10-19/h3-8H,9-10,19H2,1-2H3
InChIKeyHVZALKWSDJIAAI-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine?
The IUPAC name of [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine (CID 79516769) is [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine is CC1(C)Cc2cccc(Oc3cccc(F)c3CN)c2O1.
What is the InChIKey of [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine?
The InChIKey is HVZALKWSDJIAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-17(2)9-11-5-3-8-15(16(11)21-17)20-14-7-4-6-13(18)12(14)10-19/h3-8H,9-10,19H2,1-2H3.
What are the key properties of [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine?
[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine has a molecular weight of 287.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine is sourced from PubChem (CID 79516769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).