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

C14H14N2O2 — CID 68787000

IUPAC[4-amino-3-(3-aminophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(N)c(-c2cccc(N)c2)c1
InChIInChI=1S/C14H14N2O2/c1-9(17)18-12-5-6-14(16)13(8-12)10-3-2-4-11(15)7-10/h2-8H,15-16H2,1H3
InChIKeyQTIOFAIBWAYXOR-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.44
Rot. Bonds2

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

[4-amino-3-(3-aminophenyl)phenyl] acetate (PubChem CID 68787000) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is [4-amino-3-(3-aminophenyl)phenyl] acetate.

Molecular Properties

Compound Name[4-amino-3-(3-aminophenyl)phenyl] acetate
PubChem CID68787000
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name[4-amino-3-(3-aminophenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(N)c(-c2cccc(N)c2)c1
InChIInChI=1S/C14H14N2O2/c1-9(17)18-12-5-6-14(16)13(8-12)10-3-2-4-11(15)7-10/h2-8H,15-16H2,1H3
InChIKeyQTIOFAIBWAYXOR-UHFFFAOYSA-N
XLogP2.44
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-aminophenyl)phenyl] acetate
CID 68785053
[3-(4-amino-3-fluorophenoxy)phenyl] acetate
CID 146292003
[2-(3-aminophenyl)-3-pyridinyl] acetate
CID 174399068
(3-amino-4-methylphenyl) acetate
CID 66838768
2-(3-aminophenyl)-4-fluoroaniline
CID 68785207
1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
CID 68790050
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
2-[3-(2,5-diaminophenyl)phenyl]propanoic acid
CID 70164461
(1,3-dibromoazulen-5-yl) acetate
CID 23261467
4-(4-amino-3-phenylphenoxy)-2-phenylaniline
CID 69279475
3-(3-aminophenyl)-5-nitrofuran-2-carboxamide
CID 175705176
[3-(3-acetyloxy-2-propan-2-ylphenyl)phenyl] acetate
CID 68948751

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(3-aminophenyl)phenyl] acetate?
The IUPAC name of [4-amino-3-(3-aminophenyl)phenyl] acetate (CID 68787000) is [4-amino-3-(3-aminophenyl)phenyl] acetate.
What is the SMILES notation for [4-amino-3-(3-aminophenyl)phenyl] acetate?
The canonical SMILES for [4-amino-3-(3-aminophenyl)phenyl] acetate is CC(=O)Oc1ccc(N)c(-c2cccc(N)c2)c1.
What is the InChIKey of [4-amino-3-(3-aminophenyl)phenyl] acetate?
The InChIKey is QTIOFAIBWAYXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(17)18-12-5-6-14(16)13(8-12)10-3-2-4-11(15)7-10/h2-8H,15-16H2,1H3.
What are the key properties of [4-amino-3-(3-aminophenyl)phenyl] acetate?
[4-amino-3-(3-aminophenyl)phenyl] acetate has a molecular weight of 242.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(3-aminophenyl)phenyl] acetate is sourced from PubChem (CID 68787000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).