N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine

C12H14F3NO — CID 123363492

IUPACN-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESCCON=C(C)c1cccc(C)c1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-4-17-16-9(3)10-7-5-6-8(2)11(10)12(13,14)15/h5-7H,4H2,1-3H3
InChIKeyITGYKXAICYKBMV-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.77
Rot. Bonds3

About N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine

N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 123363492) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
PubChem CID123363492
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESCCON=C(C)c1cccc(C)c1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-4-17-16-9(3)10-7-5-6-8(2)11(10)12(13,14)15/h5-7H,4H2,1-3H3
InChIKeyITGYKXAICYKBMV-UHFFFAOYSA-N
XLogP3.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.77
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)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
CID 88957293
N-[2-[(E)-N-ethoxy-C-methylcarbonimidoyl]-6-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 59021094
bis[3-methyl-2-(trifluoromethyl)phenyl]methanone
CID 139698418
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
(E)-N-ethoxy-1-(2-methoxyphenyl)ethanimine
CID 89151360
N-ethoxy-1-[2-fluoro-4-(2-methylphenyl)phenyl]ethanimine
CID 72558103
(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
CID 88957278
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
ethane;3-methyl-2-(trifluoromethyl)phenol
CID 171645193
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
(2E)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375401
(2Z)-2-ethoxyimino-2-(2-methylphenyl)acetamide
CID 155375402

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine (CID 123363492) is N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine is CCON=C(C)c1cccc(C)c1C(F)(F)F.
What is the InChIKey of N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is ITGYKXAICYKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-4-17-16-9(3)10-7-5-6-8(2)11(10)12(13,14)15/h5-7H,4H2,1-3H3.
What are the key properties of N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 245.24 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 123363492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).