4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline

C15H15F2NO2 — CID 39379204

IUPAC4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
SMILESCc1cc(OCCOc2ccc(F)c(F)c2)ccc1N
InChIInChI=1S/C15H15F2NO2/c1-10-8-11(3-5-15(10)18)19-6-7-20-12-2-4-13(16)14(17)9-12/h2-5,8-9H,6-7,18H2,1H3
InChIKeyXFJQCUIKROHASE-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.31
Rot. Bonds5

About 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline

4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline (PubChem CID 39379204) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
PubChem CID39379204
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
SMILESCc1cc(OCCOc2ccc(F)c(F)c2)ccc1N
InChIInChI=1S/C15H15F2NO2/c1-10-8-11(3-5-15(10)18)19-6-7-20-12-2-4-13(16)14(17)9-12/h2-5,8-9H,6-7,18H2,1H3
InChIKeyXFJQCUIKROHASE-UHFFFAOYSA-N
XLogP3.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
2-methyl-4-nonoxyaniline
CID 43128997
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119124887
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methylaniline
CID 69452895
4-(methoxymethoxy)-2-methylaniline
CID 14883323

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline?
The IUPAC name of 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline (CID 39379204) is 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline.
What is the SMILES notation for 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline?
The canonical SMILES for 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline is Cc1cc(OCCOc2ccc(F)c(F)c2)ccc1N.
What is the InChIKey of 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline?
The InChIKey is XFJQCUIKROHASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-10-8-11(3-5-15(10)18)19-6-7-20-12-2-4-13(16)14(17)9-12/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline?
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline has a molecular weight of 279.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline is sourced from PubChem (CID 39379204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).