[4-(3-aminophenyl)phenyl] acetate

C14H13NO2 — CID 68785053

IUPAC[4-(3-aminophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C14H13NO2/c1-10(16)17-14-7-5-11(6-8-14)12-3-2-4-13(15)9-12/h2-9H,15H2,1H3
InChIKeyKUALBOWOTGEHCD-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.86
Rot. Bonds2

About [4-(3-aminophenyl)phenyl] acetate

[4-(3-aminophenyl)phenyl] acetate (PubChem CID 68785053) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is [4-(3-aminophenyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(3-aminophenyl)phenyl] acetate
PubChem CID68785053
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name[4-(3-aminophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C14H13NO2/c1-10(16)17-14-7-5-11(6-8-14)12-3-2-4-13(15)9-12/h2-9H,15H2,1H3
InChIKeyKUALBOWOTGEHCD-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-amino-3-(3-aminophenyl)phenyl] acetate
CID 68787000
1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
CID 68790050
(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate
CID 2339044
[3-(4-formylphenyl)phenyl] acetate
CID 86180211
4-(3-aminophenyl)benzoic acid;hydrochloride
CID 2756354
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
CID 163460715
[2-(3-aminophenyl)-3-pyridinyl] acetate
CID 174399068
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184
(4-aminophenyl) acetate;nitrous acid
CID 174579192
butan-2-yl 3-(4-acetyloxyphenyl)benzoate
CID 2891518
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenyl)phenyl] acetate?
The IUPAC name of [4-(3-aminophenyl)phenyl] acetate (CID 68785053) is [4-(3-aminophenyl)phenyl] acetate.
What is the SMILES notation for [4-(3-aminophenyl)phenyl] acetate?
The canonical SMILES for [4-(3-aminophenyl)phenyl] acetate is CC(=O)Oc1ccc(-c2cccc(N)c2)cc1.
What is the InChIKey of [4-(3-aminophenyl)phenyl] acetate?
The InChIKey is KUALBOWOTGEHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(16)17-14-7-5-11(6-8-14)12-3-2-4-13(15)9-12/h2-9H,15H2,1H3.
What are the key properties of [4-(3-aminophenyl)phenyl] acetate?
[4-(3-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 [4-(3-aminophenyl)phenyl] acetate is sourced from PubChem (CID 68785053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).