N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine

C17H17F2NO — CID 22483132

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
SMILESCCOc1ccccc1/C=N/C(C)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO/c1-3-21-17-7-5-4-6-13(17)11-20-12(2)15-9-8-14(18)10-16(15)19/h4-12H,3H2,1-2H3/b20-11+
InChIKeyJEIHHFKZTVCROV-RGVLZGJSSA-N
MW289.33 g/mol
LogP4.54
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine

N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine (PubChem CID 22483132) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
PubChem CID22483132
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine
SMILESCCOc1ccccc1/C=N/C(C)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO/c1-3-21-17-7-5-4-6-13(17)11-20-12(2)15-9-8-14(18)10-16(15)19/h4-12H,3H2,1-2H3/b20-11+
InChIKeyJEIHHFKZTVCROV-RGVLZGJSSA-N
XLogP4.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine (CID 22483132) is N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine is CCOc1ccccc1/C=N/C(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
The InChIKey is JEIHHFKZTVCROV-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-3-21-17-7-5-4-6-13(17)11-20-12(2)15-9-8-14(18)10-16(15)19/h4-12H,3H2,1-2H3/b20-11+.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine?
N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine has a molecular weight of 289.33 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-(2-ethoxyphenyl)methanimine is sourced from PubChem (CID 22483132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).