N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline

C19H21NO2 — CID 146640131

IUPACN-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline
SMILESCNc1ccc(-c2cc3ccc(OC(C)(C)C)cc3o2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-16-10-7-14-11-17(21-18(14)12-16)13-5-8-15(20-4)9-6-13/h5-12,20H,1-4H3
InChIKeyJKBIEYWQLARKGL-UHFFFAOYSA-N
MW295.38 g/mol
LogP5.32
Rot. Bonds3

About N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline

N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline (PubChem CID 146640131) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline
PubChem CID146640131
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline
SMILESCNc1ccc(-c2cc3ccc(OC(C)(C)C)cc3o2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-16-10-7-14-11-17(21-18(14)12-16)13-5-8-15(20-4)9-6-13/h5-12,20H,1-4H3
InChIKeyJKBIEYWQLARKGL-UHFFFAOYSA-N
XLogP5.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline?
The IUPAC name of N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline (CID 146640131) is N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline.
What is the SMILES notation for N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline?
The canonical SMILES for N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline is CNc1ccc(-c2cc3ccc(OC(C)(C)C)cc3o2)cc1.
What is the InChIKey of N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline?
The InChIKey is JKBIEYWQLARKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)22-16-10-7-14-11-17(21-18(14)12-16)13-5-8-15(20-4)9-6-13/h5-12,20H,1-4H3.
What are the key properties of N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline?
N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline has a molecular weight of 295.38 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1-benzofuran-2-yl]aniline is sourced from PubChem (CID 146640131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).