4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline

C15H15F2NO — CID 118456166

IUPAC4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline
SMILESCC(C)(Oc1ccc(N)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO/c1-15(2,13-8-3-10(16)9-14(13)17)19-12-6-4-11(18)5-7-12/h3-9H,18H2,1-2H3
InChIKeyJYUIFWPIDMCALJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.86
Rot. Bonds3

About 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline

4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline (PubChem CID 118456166) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline
PubChem CID118456166
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline
SMILESCC(C)(Oc1ccc(N)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO/c1-15(2,13-8-3-10(16)9-14(13)17)19-12-6-4-11(18)5-7-12/h3-9H,18H2,1-2H3
InChIKeyJYUIFWPIDMCALJ-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline?
The IUPAC name of 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline (CID 118456166) is 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline is CC(C)(Oc1ccc(N)cc1)c1ccc(F)cc1F.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline?
The InChIKey is JYUIFWPIDMCALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-15(2,13-8-3-10(16)9-14(13)17)19-12-6-4-11(18)5-7-12/h3-9H,18H2,1-2H3.
What are the key properties of 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline?
4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline has a molecular weight of 263.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)propan-2-yloxy]aniline is sourced from PubChem (CID 118456166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).