N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

C20H25NO2 — CID 19078609

IUPACN-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCOc1ccc(Nc2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1
InChIInChI=1S/C20H25NO2/c1-12-13(2)19-17(11-20(4,5)23-19)14(3)18(12)21-15-7-9-16(22-6)10-8-15/h7-10,21H,11H2,1-6H3
InChIKeyAUFZQWXMGPXJSB-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.08
Rot. Bonds3

About N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine

N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (PubChem CID 19078609) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
PubChem CID19078609
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
SMILESCOc1ccc(Nc2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1
InChIInChI=1S/C20H25NO2/c1-12-13(2)19-17(11-20(4,5)23-19)14(3)18(12)21-15-7-9-16(22-6)10-8-15/h7-10,21H,11H2,1-6H3
InChIKeyAUFZQWXMGPXJSB-UHFFFAOYSA-N
XLogP5.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide
CID 174776190
2,2,4,6,7-pentamethyl-N-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 19078634
anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene
CID 159203763
N-(4-methoxyphenyl)-4-[1,2,2-tris[4-(4-methoxyanilino)phenyl]ethenyl]aniline
CID 101376712
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
anisole;ethane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene;(Z)-N-methyl-2-phenylethenamine
CID 161119210
dimethyl 5-(4-methoxyanilino)benzene-1,3-dicarboxylate
CID 155291103
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
zinc;bis(4-(4-methoxyanilino)benzenediazonium);tetrachloride
CID 6453830
(2-methylphenyl) 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfinate
CID 143038078
5-ethylsulfonyl-2,2,4,6,7-pentamethyl-3H-1-benzofuran
CID 69097885

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine (CID 19078609) is N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is COc1ccc(Nc2c(C)c(C)c3c(c2C)CC(C)(C)O3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
The InChIKey is AUFZQWXMGPXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-12-13(2)19-17(11-20(4,5)23-19)14(3)18(12)21-15-7-9-16(22-6)10-8-15/h7-10,21H,11H2,1-6H3.
What are the key properties of N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine?
N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine has a molecular weight of 311.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 19078609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).