2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone

C16H17NO2 — CID 46307357

IUPAC2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccccc2N)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-7-8-13(12(2)9-11)15(18)10-19-16-6-4-3-5-14(16)17/h3-9H,10,17H2,1-2H3
InChIKeyLVLPXSRLVORMRE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone

2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 46307357) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
PubChem CID46307357
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccccc2N)c(C)c1
InChIInChI=1S/C16H17NO2/c1-11-7-8-13(12(2)9-11)15(18)10-19-16-6-4-3-5-14(16)17/h3-9H,10,17H2,1-2H3
InChIKeyLVLPXSRLVORMRE-UHFFFAOYSA-N
XLogP3.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 82092903
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)butan-1-one
CID 46307359
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
5-bromo-2-[2-(2,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 83136314
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 2569453
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
1-(2,5-dimethylphenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63647847

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone (CID 46307357) is 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COc2ccccc2N)c(C)c1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is LVLPXSRLVORMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-8-13(12(2)9-11)15(18)10-19-16-6-4-3-5-14(16)17/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone?
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 46307357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).