3-(2-ethylbutoxy)-5-propan-2-yloxyaniline

C15H25NO2 — CID 114208247

IUPAC3-(2-ethylbutoxy)-5-propan-2-yloxyaniline
SMILESCCC(CC)COc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-5-12(6-2)10-17-14-7-13(16)8-15(9-14)18-11(3)4/h7-9,11-12H,5-6,10,16H2,1-4H3
InChIKeyPPLOPRNQCMQSDV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.87
Rot. Bonds7

About 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline

3-(2-ethylbutoxy)-5-propan-2-yloxyaniline (PubChem CID 114208247) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-(2-ethylbutoxy)-5-propan-2-yloxyaniline
PubChem CID114208247
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2-ethylbutoxy)-5-propan-2-yloxyaniline
SMILESCCC(CC)COc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-5-12(6-2)10-17-14-7-13(16)8-15(9-14)18-11(3)4/h7-9,11-12H,5-6,10,16H2,1-4H3
InChIKeyPPLOPRNQCMQSDV-UHFFFAOYSA-N
XLogP3.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.87
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-(2-ethylbutoxy)-5-propan-2-yloxyaniline?
The IUPAC name of 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline (CID 114208247) is 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline?
The canonical SMILES for 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline is CCC(CC)COc1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline?
The InChIKey is PPLOPRNQCMQSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12(6-2)10-17-14-7-13(16)8-15(9-14)18-11(3)4/h7-9,11-12H,5-6,10,16H2,1-4H3.
What are the key properties of 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline?
3-(2-ethylbutoxy)-5-propan-2-yloxyaniline has a molecular weight of 251.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutoxy)-5-propan-2-yloxyaniline is sourced from PubChem (CID 114208247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).