(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

C16H19NO2S — CID 59827815

IUPAC(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCOc1ccc(-c2cccs2)c(/C=N/OC(C)(C)C)c1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)19-17-11-12-10-13(18-4)7-8-14(12)15-6-5-9-20-15/h5-11H,1-4H3/b17-11+
InChIKeyVTMMNZDYPHJFBS-GZTJUZNOSA-N
MW289.40 g/mol
LogP4.57
Rot. Bonds4

About (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine

(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (PubChem CID 59827815) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.

Molecular Properties

Compound Name(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
PubChem CID59827815
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILESCOc1ccc(-c2cccs2)c(/C=N/OC(C)(C)C)c1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)19-17-11-12-10-13(18-4)7-8-14(12)15-6-5-9-20-15/h5-11H,1-4H3/b17-11+
InChIKeyVTMMNZDYPHJFBS-GZTJUZNOSA-N
XLogP4.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-methoxyphenyl)thiophene
CID 172555781
2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 141263688
N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
CID 114077900
2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene
CID 118119685
bis(3-methoxy-4-thiophen-2-ylphenyl)diazene
CID 134812992
N-[(1S,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-[(E)-(5-methoxy-2-thiophen-2-ylphenyl)methylideneamino]oxypyrrolidine-2-carboxamide
CID 25141601
2-(4,8-dimethoxy-5-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 22996753
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789
4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine
CID 75359777
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 46670959
5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
CID 16768819

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The IUPAC name of (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine (CID 59827815) is (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine.
What is the SMILES notation for (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The canonical SMILES for (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is COc1ccc(-c2cccs2)c(/C=N/OC(C)(C)C)c1.
What is the InChIKey of (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
The InChIKey is VTMMNZDYPHJFBS-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(2,3)19-17-11-12-10-13(18-4)7-8-14(12)15-6-5-9-20-15/h5-11H,1-4H3/b17-11+.
What are the key properties of (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine?
(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine has a molecular weight of 289.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine is sourced from PubChem (CID 59827815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).