N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine

C17H18FNO — CID 72558103

IUPACN-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine
SMILESCCON=C(C)c1ccc(-c2ccccc2C)cc1F
InChIInChI=1S/C17H18FNO/c1-4-20-19-13(3)16-10-9-14(11-17(16)18)15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3
InChIKeySSAJYLRATPYFRH-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.56
Rot. Bonds4

About N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine

N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine (PubChem CID 72558103) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine
PubChem CID72558103
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine
SMILESCCON=C(C)c1ccc(-c2ccccc2C)cc1F
InChIInChI=1S/C17H18FNO/c1-4-20-19-13(3)16-10-9-14(11-17(16)18)15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3
InChIKeySSAJYLRATPYFRH-UHFFFAOYSA-N
XLogP4.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
CID 123363492
ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate
CID 134617655
N-ethoxy-1-[4-(2-methylphenyl)phenyl]methanimine
CID 72558105
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine
CID 72558098
4-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)phenyl]-2-fluorobenzoic acid
CID 169400274
(E)-1-[1-(3-chlorophenyl)-5-(4-fluorophenyl)-2-methylpyrrol-3-yl]-N-ethoxyethanimine
CID 7348000
N-[2-[(E)-N-ethoxy-C-methylcarbonimidoyl]-6-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 59021094
1-[2-methyl-5-(2-methylphenyl)phenyl]-N-[(E)-pent-2-en-2-yl]methanimine
CID 139541351
N-[(1R,2R)-6-[[3-ethoxypropyl(methyl)amino]methyl]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-fluoro-4-(2-methylphenyl)benzamide
CID 91534901
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine?
The IUPAC name of N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine (CID 72558103) is N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine.
What is the SMILES notation for N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine?
The canonical SMILES for N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine is CCON=C(C)c1ccc(-c2ccccc2C)cc1F.
What is the InChIKey of N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine?
The InChIKey is SSAJYLRATPYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-4-20-19-13(3)16-10-9-14(11-17(16)18)15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3.
What are the key properties of N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine?
N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine has a molecular weight of 271.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine is sourced from PubChem (CID 72558103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).