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

C17H19NO3 — CID 63677792

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
SMILESCOc1cc(Oc2cccc3c2OC(C)(C)C3)ccc1N
InChIInChI=1S/C17H19NO3/c1-17(2)10-11-5-4-6-14(16(11)21-17)20-12-7-8-13(18)15(9-12)19-3/h4-9H,10,18H2,1-3H3
InChIKeyINXWTLJUARRYOX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.78
Rot. Bonds3

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

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline (PubChem CID 63677792) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
PubChem CID63677792
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
SMILESCOc1cc(Oc2cccc3c2OC(C)(C)C3)ccc1N
InChIInChI=1S/C17H19NO3/c1-17(2)10-11-5-4-6-14(16(11)21-17)20-12-7-8-13(18)15(9-12)19-3/h4-9H,10,18H2,1-3H3
InChIKeyINXWTLJUARRYOX-UHFFFAOYSA-N
XLogP3.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine
CID 29273095
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methylbenzaldehyde
CID 63534295
[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]thiourea
CID 134112846
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 63942868
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 29275418
1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanol
CID 43506397
3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]aniline
CID 13246036
5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine
CID 61227523
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
7-[2-(chloromethyl)-4-fluorophenoxy]-2,2-dimethyl-3H-1-benzofuran
CID 43313592
[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine
CID 79516769

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline (CID 63677792) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline is COc1cc(Oc2cccc3c2OC(C)(C)C3)ccc1N.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline?
The InChIKey is INXWTLJUARRYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2)10-11-5-4-6-14(16(11)21-17)20-12-7-8-13(18)15(9-12)19-3/h4-9H,10,18H2,1-3H3.
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline has a molecular weight of 285.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline is sourced from PubChem (CID 63677792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).