1-(4-amino-2,6-dimethylphenyl)ethanone

C10H13NO — CID 45086277

IUPAC1-(4-amino-2,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C10H13NO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,11H2,1-3H3
InChIKeyGFVYFAYTYSTBOM-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.09
Rot. Bonds1

About 1-(4-amino-2,6-dimethylphenyl)ethanone

1-(4-amino-2,6-dimethylphenyl)ethanone (PubChem CID 45086277) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(4-amino-2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,6-dimethylphenyl)ethanone
PubChem CID45086277
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(4-amino-2,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C10H13NO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,11H2,1-3H3
InChIKeyGFVYFAYTYSTBOM-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 1-(4-amino-2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-amino-2,6-dimethylphenyl)ethanone (CID 45086277) is 1-(4-amino-2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2,6-dimethylphenyl)ethanone is CC(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 1-(4-amino-2,6-dimethylphenyl)ethanone?
The InChIKey is GFVYFAYTYSTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,11H2,1-3H3.
What are the key properties of 1-(4-amino-2,6-dimethylphenyl)ethanone?
1-(4-amino-2,6-dimethylphenyl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 45086277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).