1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone

C15H15NO3 — CID 82132319

IUPAC1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
SMILESCOc1cccc(Oc2ccc(C(C)=O)cc2N)c1
InChIInChI=1S/C15H15NO3/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-9H,16H2,1-2H3
InChIKeyRWHBFZPLKDGWJS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.27
Rot. Bonds4

About 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone

1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone (PubChem CID 82132319) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
PubChem CID82132319
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
SMILESCOc1cccc(Oc2ccc(C(C)=O)cc2N)c1
InChIInChI=1S/C15H15NO3/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-9H,16H2,1-2H3
InChIKeyRWHBFZPLKDGWJS-UHFFFAOYSA-N
XLogP3.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.27
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

1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
1-[4-(2-amino-4-methoxyphenoxy)-3,5-diiodophenyl]ethanone
CID 25064589
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
CID 82993412
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
3-amino-4-(3-methylsulfonylphenoxy)benzamide
CID 43806841

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone (CID 82132319) is 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone is COc1cccc(Oc2ccc(C(C)=O)cc2N)c1.
What is the InChIKey of 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone?
The InChIKey is RWHBFZPLKDGWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-9H,16H2,1-2H3.
What are the key properties of 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone?
1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone has a molecular weight of 257.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 82132319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).