2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone

C15H15NO3 — CID 39109652

IUPAC2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)COc2ccccc2N)c1
InChIInChI=1S/C15H15NO3/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9H,10,16H2,1H3
InChIKeyVCPKHCUSQFDIDH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.54
Rot. Bonds5

About 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone

2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone (PubChem CID 39109652) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
PubChem CID39109652
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)COc2ccccc2N)c1
InChIInChI=1S/C15H15NO3/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9H,10,16H2,1H3
InChIKeyVCPKHCUSQFDIDH-UHFFFAOYSA-N
XLogP2.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809
2-hydroxybenzamide;2-[2-(3-methoxyphenyl)-2-oxoethoxy]benzamide
CID 157146573
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
CID 82117522
(1S,2S,6S,7S)-4-[2-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 6595516
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
CID 51055617
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
1-(3-methoxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 898904
2-(2-methoxyphenoxy)ethyl-[3-(3-methoxyphenyl)-3-oxopropyl]azanium chloride
CID 110177067

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone (CID 39109652) is 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)COc2ccccc2N)c1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone?
The InChIKey is VCPKHCUSQFDIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9H,10,16H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone?
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone has a molecular weight of 257.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 39109652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).