3-(1-aminoprop-2-enyl)-4-ethylphenol

C11H15NO — CID 55282730

IUPAC3-(1-aminoprop-2-enyl)-4-ethylphenol
SMILESC=CC(N)c1cc(O)ccc1CC
InChIInChI=1S/C11H15NO/c1-3-8-5-6-9(13)7-10(8)11(12)4-2/h4-7,11,13H,2-3,12H2,1H3
InChIKeyUQRZKYOQURPRCP-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.14
Rot. Bonds3

About 3-(1-aminoprop-2-enyl)-4-ethylphenol

3-(1-aminoprop-2-enyl)-4-ethylphenol (PubChem CID 55282730) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(1-aminoprop-2-enyl)-4-ethylphenol.

Molecular Properties

Compound Name3-(1-aminoprop-2-enyl)-4-ethylphenol
PubChem CID55282730
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(1-aminoprop-2-enyl)-4-ethylphenol
SMILESC=CC(N)c1cc(O)ccc1CC
InChIInChI=1S/C11H15NO/c1-3-8-5-6-9(13)7-10(8)11(12)4-2/h4-7,11,13H,2-3,12H2,1H3
InChIKeyUQRZKYOQURPRCP-UHFFFAOYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoprop-2-enyl)-4-ethylphenol?
The IUPAC name of 3-(1-aminoprop-2-enyl)-4-ethylphenol (CID 55282730) is 3-(1-aminoprop-2-enyl)-4-ethylphenol.
What is the SMILES notation for 3-(1-aminoprop-2-enyl)-4-ethylphenol?
The canonical SMILES for 3-(1-aminoprop-2-enyl)-4-ethylphenol is C=CC(N)c1cc(O)ccc1CC.
What is the InChIKey of 3-(1-aminoprop-2-enyl)-4-ethylphenol?
The InChIKey is UQRZKYOQURPRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-8-5-6-9(13)7-10(8)11(12)4-2/h4-7,11,13H,2-3,12H2,1H3.
What are the key properties of 3-(1-aminoprop-2-enyl)-4-ethylphenol?
3-(1-aminoprop-2-enyl)-4-ethylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoprop-2-enyl)-4-ethylphenol is sourced from PubChem (CID 55282730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).