4-(2-cyclobutylethoxymethyl)-3-methoxyaniline

C14H21NO2 — CID 106200104

IUPAC4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1COCCC1CCC1
InChIInChI=1S/C14H21NO2/c1-16-14-9-13(15)6-5-12(14)10-17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10,15H2,1H3
InChIKeyOISISNZIWBIWPH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.98
Rot. Bonds6

About 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline

4-(2-cyclobutylethoxymethyl)-3-methoxyaniline (PubChem CID 106200104) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
PubChem CID106200104
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1COCCC1CCC1
InChIInChI=1S/C14H21NO2/c1-16-14-9-13(15)6-5-12(14)10-17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10,15H2,1H3
InChIKeyOISISNZIWBIWPH-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.98
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 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline?
The IUPAC name of 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline (CID 106200104) is 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline.
What is the SMILES notation for 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline?
The canonical SMILES for 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline is COc1cc(N)ccc1COCCC1CCC1.
What is the InChIKey of 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline?
The InChIKey is OISISNZIWBIWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-14-9-13(15)6-5-12(14)10-17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10,15H2,1H3.
What are the key properties of 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline?
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline has a molecular weight of 235.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxymethyl)-3-methoxyaniline is sourced from PubChem (CID 106200104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).