4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline

C21H18F3NO2 — CID 166327462

IUPAC4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline
SMILESCOc1cc(F)ccc1NC(C)c1cc(F)ccc1Oc1cccc(F)c1
InChIInChI=1S/C21H18F3NO2/c1-13(25-19-8-6-16(24)12-21(19)26-2)18-11-15(23)7-9-20(18)27-17-5-3-4-14(22)10-17/h3-13,25H,1-2H3
InChIKeyVFMAVSNRMINRIH-UHFFFAOYSA-N
MW373.37 g/mol
LogP6.08
Rot. Bonds6

About 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline

4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline (PubChem CID 166327462) has the molecular formula C21H18F3NO2 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline
PubChem CID166327462
Molecular FormulaC21H18F3NO2
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline
SMILESCOc1cc(F)ccc1NC(C)c1cc(F)ccc1Oc1cccc(F)c1
InChIInChI=1S/C21H18F3NO2/c1-13(25-19-8-6-16(24)12-21(19)26-2)18-11-15(23)7-9-20(18)27-17-5-3-4-14(22)10-17/h3-13,25H,1-2H3
InChIKeyVFMAVSNRMINRIH-UHFFFAOYSA-N
XLogP6.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221526
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
CID 139016017
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 54968451
(1R)-1-[5-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 63372402
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline?
The IUPAC name of 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline (CID 166327462) is 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline.
What is the SMILES notation for 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline?
The canonical SMILES for 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline is COc1cc(F)ccc1NC(C)c1cc(F)ccc1Oc1cccc(F)c1.
What is the InChIKey of 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline?
The InChIKey is VFMAVSNRMINRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO2/c1-13(25-19-8-6-16(24)12-21(19)26-2)18-11-15(23)7-9-20(18)27-17-5-3-4-14(22)10-17/h3-13,25H,1-2H3.
What are the key properties of 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline?
4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline has a molecular weight of 373.37 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline is sourced from PubChem (CID 166327462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).