2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline

C19H23F2NO3 — CID 25004056

IUPAC2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline
SMILESCCOc1ccc(OCCCCOCc2cc(F)ccc2F)c(N)c1
InChIInChI=1S/C19H23F2NO3/c1-2-24-16-6-8-19(18(22)12-16)25-10-4-3-9-23-13-14-11-15(20)5-7-17(14)21/h5-8,11-12H,2-4,9-10,13,22H2,1H3
InChIKeyLVADVLPVKAADSL-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.32
Rot. Bonds10

About 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline

2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline (PubChem CID 25004056) has the molecular formula C19H23F2NO3 and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline.

Molecular Properties

Compound Name2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline
PubChem CID25004056
Molecular FormulaC19H23F2NO3
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline
SMILESCCOc1ccc(OCCCCOCc2cc(F)ccc2F)c(N)c1
InChIInChI=1S/C19H23F2NO3/c1-2-24-16-6-8-19(18(22)12-16)25-10-4-3-9-23-13-14-11-15(20)5-7-17(14)21/h5-8,11-12H,2-4,9-10,13,22H2,1H3
InChIKeyLVADVLPVKAADSL-UHFFFAOYSA-N
XLogP4.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-(2-methylsulfanylethoxy)aniline
CID 25005073
4-fluoro-2-(octoxymethyl)aniline
CID 43382254
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene
CID 58376810
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
5-fluoro-2-(hexoxymethyl)aniline
CID 64768637
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
5-cyclopentyl-2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-N-methoxyaniline
CID 25004732
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline?
The IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline (CID 25004056) is 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline.
What is the SMILES notation for 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline?
The canonical SMILES for 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline is CCOc1ccc(OCCCCOCc2cc(F)ccc2F)c(N)c1.
What is the InChIKey of 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline?
The InChIKey is LVADVLPVKAADSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO3/c1-2-24-16-6-8-19(18(22)12-16)25-10-4-3-9-23-13-14-11-15(20)5-7-17(14)21/h5-8,11-12H,2-4,9-10,13,22H2,1H3.
What are the key properties of 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline?
2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline has a molecular weight of 351.39 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline is sourced from PubChem (CID 25004056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).