[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
CID 115507250
[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine
CID 102814467
[3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 63087179
[3-bromo-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 82785360
[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
CID 62298154
7-[2-(chloromethyl)-4-fluorophenoxy]-2,2-dimethyl-3H-1-benzofuran
CID 43313592
[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1,3,4-thiadiazol-2-yl]methanamine
CID 80623639
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3,3,3-trifluoropropan-1-amine
CID 43752873
3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]aniline
CID 13246036
[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol
CID 114846015

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).