N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine

C17H17F2N — CID 22483047

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine
SMILESCc1ccc(C)c(/C=N/C(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N/c1-11-4-5-12(2)14(8-11)10-20-13(3)16-7-6-15(18)9-17(16)19/h4-10,13H,1-3H3/b20-10+
InChIKeyQPSXDDAFUWPCGS-KEBDBYFISA-N
MW273.33 g/mol
LogP4.76
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine

N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine (PubChem CID 22483047) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine
PubChem CID22483047
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine
SMILESCc1ccc(C)c(/C=N/C(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N/c1-11-4-5-12(2)14(8-11)10-20-13(3)16-7-6-15(18)9-17(16)19/h4-10,13H,1-3H3/b20-10+
InChIKeyQPSXDDAFUWPCGS-KEBDBYFISA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,5-dimethylphenyl)methanimine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine (CID 22483047) is N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine is Cc1ccc(C)c(/C=N/C(C)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine?
The InChIKey is QPSXDDAFUWPCGS-KEBDBYFISA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-4-5-12(2)14(8-11)10-20-13(3)16-7-6-15(18)9-17(16)19/h4-10,13H,1-3H3/b20-10+.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine?
N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine has a molecular weight of 273.33 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1-(2,5-dimethylphenyl)methanimine is sourced from PubChem (CID 22483047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).