N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine

C17H23F2NO — CID 91361899

IUPACN-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine
SMILESCC=NOc1ccc(C(C)C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C17H23F2NO/c1-4-20-21-15-10-9-14(16(18)17(15)19)12(3)13-7-5-11(2)6-8-13/h4,9-13H,5-8H2,1-3H3
InChIKeyFPYMZZBQPZZMQY-UHFFFAOYSA-N
MW295.37 g/mol
LogP5.28
Rot. Bonds4

About N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine

N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine (PubChem CID 91361899) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine.

Molecular Properties

Compound NameN-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine
PubChem CID91361899
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC NameN-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine
SMILESCC=NOc1ccc(C(C)C2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C17H23F2NO/c1-4-20-21-15-10-9-14(16(18)17(15)19)12(3)13-7-5-11(2)6-8-13/h4,9-13H,5-8H2,1-3H3
InChIKeyFPYMZZBQPZZMQY-UHFFFAOYSA-N
XLogP5.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.37
LogP ≤ 55.28
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'}

Analyze N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine?
The IUPAC name of N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine (CID 91361899) is N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine.
What is the SMILES notation for N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine?
The canonical SMILES for N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine is CC=NOc1ccc(C(C)C2CCC(C)CC2)c(F)c1F.
What is the InChIKey of N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine?
The InChIKey is FPYMZZBQPZZMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-4-20-21-15-10-9-14(16(18)17(15)19)12(3)13-7-5-11(2)6-8-13/h4,9-13H,5-8H2,1-3H3.
What are the key properties of N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine?
N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine has a molecular weight of 295.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-[1-(4-methylcyclohexyl)ethyl]phenoxy]ethanimine is sourced from PubChem (CID 91361899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).