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

C17H15ClF3NO — CID 123404264

IUPACN-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESCC(=NOCc1ccccc1Cl)c1cccc(C)c1C(F)(F)F
InChIInChI=1S/C17H15ClF3NO/c1-11-6-5-8-14(16(11)17(19,20)21)12(2)22-23-10-13-7-3-4-9-15(13)18/h3-9H,10H2,1-2H3
InChIKeyYKLYXBTUWRLWKI-UHFFFAOYSA-N
MW341.76 g/mol
LogP5.61
Rot. Bonds4

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

N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 123404264) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
PubChem CID123404264
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC NameN-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESCC(=NOCc1ccccc1Cl)c1cccc(C)c1C(F)(F)F
InChIInChI=1S/C17H15ClF3NO/c1-11-6-5-8-14(16(11)17(19,20)21)12(2)22-23-10-13-7-3-4-9-15(13)18/h3-9H,10H2,1-2H3
InChIKeyYKLYXBTUWRLWKI-UHFFFAOYSA-N
XLogP5.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 55.61
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine (CID 123404264) is N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine is CC(=NOCc1ccccc1Cl)c1cccc(C)c1C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is YKLYXBTUWRLWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c1-11-6-5-8-14(16(11)17(19,20)21)12(2)22-23-10-13-7-3-4-9-15(13)18/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine?
N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 341.76 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-1-[3-methyl-2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 123404264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).