N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline

C16H16F3NO — CID 43730076

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC(C)c1c(F)cccc1F
InChIInChI=1S/C16H16F3NO/c1-3-21-15-9-11(17)7-8-14(15)20-10(2)16-12(18)5-4-6-13(16)19/h4-10,20H,3H2,1-2H3
InChIKeyOKRBGAJPWVVCJV-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.68
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline

N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline (PubChem CID 43730076) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
PubChem CID43730076
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC(C)c1c(F)cccc1F
InChIInChI=1S/C16H16F3NO/c1-3-21-15-9-11(17)7-8-14(15)20-10(2)16-12(18)5-4-6-13(16)19/h4-10,20H,3H2,1-2H3
InChIKeyOKRBGAJPWVVCJV-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43787964
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992858
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline (CID 43730076) is N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline is CCOc1cc(F)ccc1NC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
The InChIKey is OKRBGAJPWVVCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-3-21-15-9-11(17)7-8-14(15)20-10(2)16-12(18)5-4-6-13(16)19/h4-10,20H,3H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline has a molecular weight of 295.30 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline is sourced from PubChem (CID 43730076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).