4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline

C13H14FNO — CID 165448049

IUPAC4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(-c2ccc(F)o2)cc1
InChIInChI=1S/C13H14FNO/c1-9(2)15-11-5-3-10(4-6-11)12-7-8-13(14)16-12/h3-9,15H,1-2H3
InChIKeyNNBGPPXFYCRLIJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.91
Rot. Bonds3

About 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline

4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline (PubChem CID 165448049) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline
PubChem CID165448049
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(-c2ccc(F)o2)cc1
InChIInChI=1S/C13H14FNO/c1-9(2)15-11-5-3-10(4-6-11)12-7-8-13(14)16-12/h3-9,15H,1-2H3
InChIKeyNNBGPPXFYCRLIJ-UHFFFAOYSA-N
XLogP3.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline?
The IUPAC name of 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline (CID 165448049) is 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline is CC(C)Nc1ccc(-c2ccc(F)o2)cc1.
What is the InChIKey of 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline?
The InChIKey is NNBGPPXFYCRLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9(2)15-11-5-3-10(4-6-11)12-7-8-13(14)16-12/h3-9,15H,1-2H3.
What are the key properties of 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline?
4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline has a molecular weight of 219.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorofuran-2-yl)-N-propan-2-ylaniline is sourced from PubChem (CID 165448049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).