3,5-dipropoxyaniline

C12H19NO2 — CID 71318426

IUPAC3,5-dipropoxyaniline
SMILESCCCOc1cc(N)cc(OCCC)c1
InChIInChI=1S/C12H19NO2/c1-3-5-14-11-7-10(13)8-12(9-11)15-6-4-2/h7-9H,3-6,13H2,1-2H3
InChIKeyLJWDDMWPDKBELS-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.85
Rot. Bonds6

About 3,5-dipropoxyaniline

3,5-dipropoxyaniline (PubChem CID 71318426) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,5-dipropoxyaniline.

Molecular Properties

Compound Name3,5-dipropoxyaniline
PubChem CID71318426
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3,5-dipropoxyaniline
SMILESCCCOc1cc(N)cc(OCCC)c1
InChIInChI=1S/C12H19NO2/c1-3-5-14-11-7-10(13)8-12(9-11)15-6-4-2/h7-9H,3-6,13H2,1-2H3
InChIKeyLJWDDMWPDKBELS-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.85
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 3,5-dipropoxyaniline?
The IUPAC name of 3,5-dipropoxyaniline (CID 71318426) is 3,5-dipropoxyaniline.
What is the SMILES notation for 3,5-dipropoxyaniline?
The canonical SMILES for 3,5-dipropoxyaniline is CCCOc1cc(N)cc(OCCC)c1.
What is the InChIKey of 3,5-dipropoxyaniline?
The InChIKey is LJWDDMWPDKBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-5-14-11-7-10(13)8-12(9-11)15-6-4-2/h7-9H,3-6,13H2,1-2H3.
What are the key properties of 3,5-dipropoxyaniline?
3,5-dipropoxyaniline has a molecular weight of 209.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipropoxyaniline is sourced from PubChem (CID 71318426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).