2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone

C15H15NO2 — CID 39109578

IUPAC2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C15H15NO2/c1-11-2-4-12(5-3-11)15(17)10-18-14-8-6-13(16)7-9-14/h2-9H,10,16H2,1H3
InChIKeyXAIRZSQXGFFRCI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone

2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone (PubChem CID 39109578) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
PubChem CID39109578
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(N)cc2)cc1
InChIInChI=1S/C15H15NO2/c1-11-2-4-12(5-3-11)15(17)10-18-14-8-6-13(16)7-9-14/h2-9H,10,16H2,1H3
InChIKeyXAIRZSQXGFFRCI-UHFFFAOYSA-N
XLogP2.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
CID 23408905
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
[2-(4-methylphenyl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23762287
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone
CID 139900510
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone (CID 39109578) is 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone?
The InChIKey is XAIRZSQXGFFRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-2-4-12(5-3-11)15(17)10-18-14-8-6-13(16)7-9-14/h2-9H,10,16H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone?
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone has a molecular weight of 241.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 39109578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).