[2-(4-aminophenyl)phenyl] acetate

C14H13NO2 — CID 68788383

IUPAC[2-(4-aminophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1ccc(N)cc1
InChIInChI=1S/C14H13NO2/c1-10(16)17-14-5-3-2-4-13(14)11-6-8-12(15)9-7-11/h2-9H,15H2,1H3
InChIKeyWMSBJBYNJLWOAP-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.86
Rot. Bonds2

About [2-(4-aminophenyl)phenyl] acetate

[2-(4-aminophenyl)phenyl] acetate (PubChem CID 68788383) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is [2-(4-aminophenyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(4-aminophenyl)phenyl] acetate
PubChem CID68788383
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name[2-(4-aminophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1ccc(N)cc1
InChIInChI=1S/C14H13NO2/c1-10(16)17-14-5-3-2-4-13(14)11-6-8-12(15)9-7-11/h2-9H,15H2,1H3
InChIKeyWMSBJBYNJLWOAP-UHFFFAOYSA-N
XLogP2.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
(2,4-diphenylphenyl) acetate
CID 57057849
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
(2-chloro-3-phenylphenyl) acetate
CID 54501671
(4-amino-7-oxocyclohepta-1,3,5-trien-1-yl) acetate
CID 71339719
(3-phenyl-2-propan-2-ylphenyl) acetate
CID 69300193
ethyl 4-[5-(2-acetyloxyphenyl)pyrimidin-2-yl]benzoate
CID 139878694
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
CID 22723938
2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
CID 174895889
[4-(4-acetyloxy-3-aminophenyl)-2-aminophenyl] acetate
CID 172815309
[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate
CID 871154

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)phenyl] acetate?
The IUPAC name of [2-(4-aminophenyl)phenyl] acetate (CID 68788383) is [2-(4-aminophenyl)phenyl] acetate.
What is the SMILES notation for [2-(4-aminophenyl)phenyl] acetate?
The canonical SMILES for [2-(4-aminophenyl)phenyl] acetate is CC(=O)Oc1ccccc1-c1ccc(N)cc1.
What is the InChIKey of [2-(4-aminophenyl)phenyl] acetate?
The InChIKey is WMSBJBYNJLWOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(16)17-14-5-3-2-4-13(14)11-6-8-12(15)9-7-11/h2-9H,15H2,1H3.
What are the key properties of [2-(4-aminophenyl)phenyl] acetate?
[2-(4-aminophenyl)phenyl] acetate has a molecular weight of 227.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)phenyl] acetate is sourced from PubChem (CID 68788383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).