5-amino-2,3,4-triethylphenol

C12H19NO — CID 118234827

IUPAC5-amino-2,3,4-triethylphenol
SMILESCCc1c(N)cc(O)c(CC)c1CC
InChIInChI=1S/C12H19NO/c1-4-8-9(5-2)11(13)7-12(14)10(8)6-3/h7,14H,4-6,13H2,1-3H3
InChIKeyBUPXLJMDANHCNA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.66
Rot. Bonds3

About 5-amino-2,3,4-triethylphenol

5-amino-2,3,4-triethylphenol (PubChem CID 118234827) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-amino-2,3,4-triethylphenol.

Molecular Properties

Compound Name5-amino-2,3,4-triethylphenol
PubChem CID118234827
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-amino-2,3,4-triethylphenol
SMILESCCc1c(N)cc(O)c(CC)c1CC
InChIInChI=1S/C12H19NO/c1-4-8-9(5-2)11(13)7-12(14)10(8)6-3/h7,14H,4-6,13H2,1-3H3
InChIKeyBUPXLJMDANHCNA-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3,4-triethylphenol?
The IUPAC name of 5-amino-2,3,4-triethylphenol (CID 118234827) is 5-amino-2,3,4-triethylphenol.
What is the SMILES notation for 5-amino-2,3,4-triethylphenol?
The canonical SMILES for 5-amino-2,3,4-triethylphenol is CCc1c(N)cc(O)c(CC)c1CC.
What is the InChIKey of 5-amino-2,3,4-triethylphenol?
The InChIKey is BUPXLJMDANHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-8-9(5-2)11(13)7-12(14)10(8)6-3/h7,14H,4-6,13H2,1-3H3.
What are the key properties of 5-amino-2,3,4-triethylphenol?
5-amino-2,3,4-triethylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3,4-triethylphenol is sourced from PubChem (CID 118234827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).