1-(3-amino-4-phenoxyphenyl)ethanone

C14H13NO2 — CID 82128259

IUPAC1-(3-amino-4-phenoxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2)c(N)c1
InChIInChI=1S/C14H13NO2/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyDTRQYBZRINQICA-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.26
Rot. Bonds3

About 1-(3-amino-4-phenoxyphenyl)ethanone

1-(3-amino-4-phenoxyphenyl)ethanone (PubChem CID 82128259) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(3-amino-4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-phenoxyphenyl)ethanone
PubChem CID82128259
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(3-amino-4-phenoxyphenyl)ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2)c(N)c1
InChIInChI=1S/C14H13NO2/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyDTRQYBZRINQICA-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-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
[3-[3-amino-4-(4-phenylphenoxy)benzoyl]phenyl]-[3-amino-4-(4-phenylphenoxy)phenyl]methanone
CID 139806354
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
3-amino-4-(4-methylsulfonylphenoxy)benzoic acid
CID 60987365
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
bis[3-amino-4-(4-propan-2-ylphenoxy)phenyl]methanone
CID 139784246
3,4-diphenoxybenzoic acid
CID 70590459

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-phenoxyphenyl)ethanone?
The IUPAC name of 1-(3-amino-4-phenoxyphenyl)ethanone (CID 82128259) is 1-(3-amino-4-phenoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-phenoxyphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-phenoxyphenyl)ethanone is CC(=O)c1ccc(Oc2ccccc2)c(N)c1.
What is the InChIKey of 1-(3-amino-4-phenoxyphenyl)ethanone?
The InChIKey is DTRQYBZRINQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h2-9H,15H2,1H3.
What are the key properties of 1-(3-amino-4-phenoxyphenyl)ethanone?
1-(3-amino-4-phenoxyphenyl)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-amino-4-phenoxyphenyl)ethanone is sourced from PubChem (CID 82128259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).