2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline

C16H15F2NO2 — CID 115507250

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
SMILESCC1(C)Cc2cccc(Oc3cc(F)cc(F)c3N)c2O1
InChIInChI=1S/C16H15F2NO2/c1-16(2)8-9-4-3-5-12(15(9)21-16)20-13-7-10(17)6-11(18)14(13)19/h3-7H,8,19H2,1-2H3
InChIKeyWDPBQHLGBMYIRF-UHFFFAOYSA-N
MW291.30 g/mol
LogP4.05
Rot. Bonds2

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline (PubChem CID 115507250) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
PubChem CID115507250
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
SMILESCC1(C)Cc2cccc(Oc3cc(F)cc(F)c3N)c2O1
InChIInChI=1S/C16H15F2NO2/c1-16(2)8-9-4-3-5-12(15(9)21-16)20-13-7-10(17)6-11(18)14(13)19/h3-7H,8,19H2,1-2H3
InChIKeyWDPBQHLGBMYIRF-UHFFFAOYSA-N
XLogP4.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline 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]-6-fluorophenyl]methanamine
CID 79516769
7-[2-(chloromethyl)-4-fluorophenoxy]-2,2-dimethyl-3H-1-benzofuran
CID 43313592
[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]aniline
CID 13246036
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-fluoroaniline
CID 64769409
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
CID 63677792
[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol
CID 114846015
5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine
CID 61227523
[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
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
CID 79698697

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline (CID 115507250) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline is CC1(C)Cc2cccc(Oc3cc(F)cc(F)c3N)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline?
The InChIKey is WDPBQHLGBMYIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-16(2)8-9-4-3-5-12(15(9)21-16)20-13-7-10(17)6-11(18)14(13)19/h3-7H,8,19H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline has a molecular weight of 291.30 g/mol, XLogP of 4.05, 2 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]-4,6-difluoroaniline is sourced from PubChem (CID 115507250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).