1-[3-(2-aminophenoxy)phenyl]ethanone

C14H13NO2 — CID 154186967

IUPAC1-[3-(2-aminophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccccc2N)c1
InChIInChI=1S/C14H13NO2/c1-10(16)11-5-4-6-12(9-11)17-14-8-3-2-7-13(14)15/h2-9H,15H2,1H3
InChIKeyCQJIVLPGSLRUNY-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.26
Rot. Bonds3

About 1-[3-(2-aminophenoxy)phenyl]ethanone

1-[3-(2-aminophenoxy)phenyl]ethanone (PubChem CID 154186967) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[3-(2-aminophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-aminophenoxy)phenyl]ethanone
PubChem CID154186967
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-[3-(2-aminophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccccc2N)c1
InChIInChI=1S/C14H13NO2/c1-10(16)11-5-4-6-12(9-11)17-14-8-3-2-7-13(14)15/h2-9H,15H2,1H3
InChIKeyCQJIVLPGSLRUNY-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.26
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

1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
1-[3-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 79403294
1-(3-hydroperoxyphenyl)ethanone
CID 21289599
1-[3-(2-acetyl-5-tert-butylphenoxy)phenyl]ethanone
CID 90463690
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(2-aminophenoxy)phenyl]ethanone (CID 154186967) is 1-[3-(2-aminophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-aminophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-aminophenoxy)phenyl]ethanone is CC(=O)c1cccc(Oc2ccccc2N)c1.
What is the InChIKey of 1-[3-(2-aminophenoxy)phenyl]ethanone?
The InChIKey is CQJIVLPGSLRUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(16)11-5-4-6-12(9-11)17-14-8-3-2-7-13(14)15/h2-9H,15H2,1H3.
What are the key properties of 1-[3-(2-aminophenoxy)phenyl]ethanone?
1-[3-(2-aminophenoxy)phenyl]ethanone has a molecular weight of 227.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenoxy)phenyl]ethanone is sourced from PubChem (CID 154186967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).