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

C15H14F3NO — CID 43730035

IUPACN-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1c(F)cccc1F
InChIInChI=1S/C15H14F3NO/c1-2-20-15-8-10(16)6-7-14(15)19-9-11-12(17)4-3-5-13(11)18/h3-8,19H,2,9H2,1H3
InChIKeyOKDLRLLWMYXYRM-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.11
Rot. Bonds5

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

N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline (PubChem CID 43730035) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
PubChem CID43730035
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NCc1c(F)cccc1F
InChIInChI=1S/C15H14F3NO/c1-2-20-15-8-10(16)6-7-14(15)19-9-11-12(17)4-3-5-13(11)18/h3-8,19H,2,9H2,1H3
InChIKeyOKDLRLLWMYXYRM-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132406
3-[(2-ethoxy-4-fluoroanilino)methyl]benzonitrile
CID 43730072
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
N-[(2,6-difluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768652
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline (CID 43730035) is N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline is CCOc1cc(F)ccc1NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
The InChIKey is OKDLRLLWMYXYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-20-15-8-10(16)6-7-14(15)19-9-11-12(17)4-3-5-13(11)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline?
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline has a molecular weight of 281.28 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline is sourced from PubChem (CID 43730035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).