1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone

C11H15NO3 — CID 19824318

IUPAC1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1cc(C)c(O)c(O)c1
InChIInChI=1S/C11H15NO3/c1-3-12-6-10(14)8-4-7(2)11(15)9(13)5-8/h4-5,12-13,15H,3,6H2,1-2H3
InChIKeyFVDGOQPKKAMXIJ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.20
Rot. Bonds4

About 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone

1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone (PubChem CID 19824318) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone
PubChem CID19824318
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1cc(C)c(O)c(O)c1
InChIInChI=1S/C11H15NO3/c1-3-12-6-10(14)8-4-7(2)11(15)9(13)5-8/h4-5,12-13,15H,3,6H2,1-2H3
InChIKeyFVDGOQPKKAMXIJ-UHFFFAOYSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
ethyl 2-(3,4-dihydroxy-5-methylphenyl)-2-oxoacetate
CID 117321438
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
1-(3,4,5-trihydroxyphenyl)nonan-1-one
CID 3063200
(3,4-dihydroxy-5-methylphenyl)-(4-methylphenyl)methanone
CID 129087324
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933
2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide
CID 67573843
N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide
CID 58240558
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethanone
CID 82112937
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
3-chloro-N-ethyl-4,5-dihydroxybenzamide
CID 144617791
2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
CID 1483853

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone (CID 19824318) is 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone is CCNCC(=O)c1cc(C)c(O)c(O)c1.
What is the InChIKey of 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone?
The InChIKey is FVDGOQPKKAMXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-12-6-10(14)8-4-7(2)11(15)9(13)5-8/h4-5,12-13,15H,3,6H2,1-2H3.
What are the key properties of 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone?
1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone has a molecular weight of 209.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxy-5-methylphenyl)-2-(ethylamino)ethanone is sourced from PubChem (CID 19824318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).