[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine

C17H18FNO2 — CID 102814467

IUPAC[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine
SMILESCC1(C)Cc2cccc(Oc3cc(F)cc(CN)c3)c2O1
InChIInChI=1S/C17H18FNO2/c1-17(2)9-12-4-3-5-15(16(12)21-17)20-14-7-11(10-19)6-13(18)8-14/h3-8H,9-10,19H2,1-2H3
InChIKeyGINGIFPUJHHAAB-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.79
Rot. Bonds3

About [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine

[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine (PubChem CID 102814467) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine
PubChem CID102814467
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine
SMILESCC1(C)Cc2cccc(Oc3cc(F)cc(CN)c3)c2O1
InChIInChI=1S/C17H18FNO2/c1-17(2)9-12-4-3-5-15(16(12)21-17)20-14-7-11(10-19)6-13(18)8-14/h3-8H,9-10,19H2,1-2H3
InChIKeyGINGIFPUJHHAAB-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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Related Compounds

[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine
CID 79516769
[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
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
CID 115507250
7-[2-(chloromethyl)-4-fluorophenoxy]-2,2-dimethyl-3H-1-benzofuran
CID 43313592
7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
CID 79698697
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
CID 63677792
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
CID 62298154
(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine
CID 29273095
[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1,3,4-thiadiazol-2-yl]methanamine
CID 80623639
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-fluoroaniline
CID 64769409

Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine?
The IUPAC name of [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine (CID 102814467) is [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine is CC1(C)Cc2cccc(Oc3cc(F)cc(CN)c3)c2O1.
What is the InChIKey of [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine?
The InChIKey is GINGIFPUJHHAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-17(2)9-12-4-3-5-15(16(12)21-17)20-14-7-11(10-19)6-13(18)8-14/h3-8H,9-10,19H2,1-2H3.
What are the key properties of [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine?
[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-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 [3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine is sourced from PubChem (CID 102814467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).