(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine

C17H17F2NO3 — CID 154857527

IUPAC(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine
SMILESCOc1ccccc1CO/N=C(\C)c1ccccc1OC(F)F
InChIInChI=1S/C17H17F2NO3/c1-12(14-8-4-6-10-16(14)23-17(18)19)20-22-11-13-7-3-5-9-15(13)21-2/h3-10,17H,11H2,1-2H3/b20-12+
InChIKeyKSVWRMVDOSYLON-UDWIEESQSA-N
MW321.32 g/mol
LogP4.24
Rot. Bonds7

About (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine

(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine (PubChem CID 154857527) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine
PubChem CID154857527
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine
SMILESCOc1ccccc1CO/N=C(\C)c1ccccc1OC(F)F
InChIInChI=1S/C17H17F2NO3/c1-12(14-8-4-6-10-16(14)23-17(18)19)20-22-11-13-7-3-5-9-15(13)21-2/h3-10,17H,11H2,1-2H3/b20-12+
InChIKeyKSVWRMVDOSYLON-UDWIEESQSA-N
XLogP4.24
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.24
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

(E)-N-ethoxy-1-(2-methoxyphenyl)ethanimine
CID 89151360
4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 95568429
N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7429040
[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea
CID 9017353
[1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
CID 76872298
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
(Z)-4-[2-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971139
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
1-(1-diazoethyl)-2-(difluoromethoxy)benzene
CID 156625220
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 3390969
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
methyl N-[2-chloro-5-[N-[(2-methoxyphenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]carbamate
CID 76755408

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine (CID 154857527) is (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine is COc1ccccc1CO/N=C(\C)c1ccccc1OC(F)F.
What is the InChIKey of (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine?
The InChIKey is KSVWRMVDOSYLON-UDWIEESQSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-12(14-8-4-6-10-16(14)23-17(18)19)20-22-11-13-7-3-5-9-15(13)21-2/h3-10,17H,11H2,1-2H3/b20-12+.
What are the key properties of (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine?
(E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine has a molecular weight of 321.32 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methoxy]ethanimine is sourced from PubChem (CID 154857527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).