(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine

C13H17F2NO4 — CID 75535927

IUPAC(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine
SMILESCOCCCO/N=C/c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C13H17F2NO4/c1-17-6-3-7-19-16-9-10-4-5-11(20-13(14)15)12(8-10)18-2/h4-5,8-9,13H,3,6-7H2,1-2H3/b16-9+
InChIKeyDGBXZNLLEJUANG-CXUHLZMHSA-N
MW289.28 g/mol
LogP2.68
Rot. Bonds9

About (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine

(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine (PubChem CID 75535927) has the molecular formula C13H17F2NO4 and a molecular weight of 289.28 g/mol. Its IUPAC name is (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine.

Molecular Properties

Compound Name(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine
PubChem CID75535927
Molecular FormulaC13H17F2NO4
Molecular Weight289.28 g/mol
Exact Mass289.11
IUPAC Name(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine
SMILESCOCCCO/N=C/c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C13H17F2NO4/c1-17-6-3-7-19-16-9-10-4-5-11(20-13(14)15)12(8-10)18-2/h4-5,8-9,13H,3,6-7H2,1-2H3/b16-9+
InChIKeyDGBXZNLLEJUANG-CXUHLZMHSA-N
XLogP2.68
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 75394681
N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 76856045
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2438469
1-[3-[[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 6905479
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
CID 7665331
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18276134
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine?
The IUPAC name of (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine (CID 75535927) is (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine.
What is the SMILES notation for (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine?
The canonical SMILES for (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine is COCCCO/N=C/c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine?
The InChIKey is DGBXZNLLEJUANG-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H17F2NO4/c1-17-6-3-7-19-16-9-10-4-5-11(20-13(14)15)12(8-10)18-2/h4-5,8-9,13H,3,6-7H2,1-2H3/b16-9+.
What are the key properties of (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine?
(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine has a molecular weight of 289.28 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine is sourced from PubChem (CID 75535927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).