N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine

C19H21NO2 — CID 135002275

IUPACN-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine
SMILESCOc1ccc(C2O/C(=N\C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)20-18-16-8-6-5-7-15(16)17(22-18)13-9-11-14(21-4)12-10-13/h5-12,17H,1-4H3/b20-18-
InChIKeyUOYBQLYBBGWBEF-ZZEZOPTASA-N
MW295.38 g/mol
LogP4.36
Rot. Bonds2

About N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine

N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine (PubChem CID 135002275) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine
PubChem CID135002275
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine
SMILESCOc1ccc(C2O/C(=N\C(C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)20-18-16-8-6-5-7-15(16)17(22-18)13-9-11-14(21-4)12-10-13/h5-12,17H,1-4H3/b20-18-
InChIKeyUOYBQLYBBGWBEF-ZZEZOPTASA-N
XLogP4.36
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 162645614
4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
CID 133064301
1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-indene
CID 132961670
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
(1R,2S)-2-(4-methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol
CID 139086519
4-methoxy-2-(4-methoxyphenyl)-2H-chromene
CID 154356806
1-[(1S)-3-hydroxy-1-(4-methoxyphenyl)-1H-inden-2-yl]ethanone
CID 135004359
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
1-(4-methoxyphenyl)-3-phenyl-1H-indene
CID 101476128
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine?
The IUPAC name of N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine (CID 135002275) is N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine.
What is the SMILES notation for N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine?
The canonical SMILES for N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine is COc1ccc(C2O/C(=N\C(C)(C)C)c3ccccc32)cc1.
What is the InChIKey of N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine?
The InChIKey is UOYBQLYBBGWBEF-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)20-18-16-8-6-5-7-15(16)17(22-18)13-9-11-14(21-4)12-10-13/h5-12,17H,1-4H3/b20-18-.
What are the key properties of N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine?
N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine has a molecular weight of 295.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine is sourced from PubChem (CID 135002275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).