2-(2-cyclobutyloxyethoxy)aniline

C12H17NO2 — CID 62116635

IUPAC2-(2-cyclobutyloxyethoxy)aniline
SMILESNc1ccccc1OCCOC1CCC1
InChIInChI=1S/C12H17NO2/c13-11-6-1-2-7-12(11)15-9-8-14-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,13H2
InChIKeySAXNYUPASVXFJG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-cyclobutyloxyethoxy)aniline

2-(2-cyclobutyloxyethoxy)aniline (PubChem CID 62116635) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2-cyclobutyloxyethoxy)aniline.

Molecular Properties

Compound Name2-(2-cyclobutyloxyethoxy)aniline
PubChem CID62116635
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2-cyclobutyloxyethoxy)aniline
SMILESNc1ccccc1OCCOC1CCC1
InChIInChI=1S/C12H17NO2/c13-11-6-1-2-7-12(11)15-9-8-14-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,13H2
InChIKeySAXNYUPASVXFJG-UHFFFAOYSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyloxyethoxy)aniline?
The IUPAC name of 2-(2-cyclobutyloxyethoxy)aniline (CID 62116635) is 2-(2-cyclobutyloxyethoxy)aniline.
What is the SMILES notation for 2-(2-cyclobutyloxyethoxy)aniline?
The canonical SMILES for 2-(2-cyclobutyloxyethoxy)aniline is Nc1ccccc1OCCOC1CCC1.
What is the InChIKey of 2-(2-cyclobutyloxyethoxy)aniline?
The InChIKey is SAXNYUPASVXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-11-6-1-2-7-12(11)15-9-8-14-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9,13H2.
What are the key properties of 2-(2-cyclobutyloxyethoxy)aniline?
2-(2-cyclobutyloxyethoxy)aniline has a molecular weight of 207.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyloxyethoxy)aniline is sourced from PubChem (CID 62116635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).