5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline

C13H20FNO2 — CID 63593547

IUPAC5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
SMILESCCCOc1cc(OCC(C)C)c(N)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-5-16-12-7-13(17-8-9(2)3)11(15)6-10(12)14/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyWMVDVPPZHPTCDA-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.23
Rot. Bonds6

About 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline

5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline (PubChem CID 63593547) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
PubChem CID63593547
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
SMILESCCCOc1cc(OCC(C)C)c(N)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-5-16-12-7-13(17-8-9(2)3)11(15)6-10(12)14/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyWMVDVPPZHPTCDA-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline?
The IUPAC name of 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline (CID 63593547) is 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline.
What is the SMILES notation for 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline?
The canonical SMILES for 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline is CCCOc1cc(OCC(C)C)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline?
The InChIKey is WMVDVPPZHPTCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-5-16-12-7-13(17-8-9(2)3)11(15)6-10(12)14/h6-7,9H,4-5,8,15H2,1-3H3.
What are the key properties of 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline?
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline has a molecular weight of 241.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline is sourced from PubChem (CID 63593547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).