1-[4-(2,5-diaminophenyl)phenyl]ethanone

C14H14N2O — CID 18371663

IUPAC1-[4-(2,5-diaminophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)ccc2N)cc1
InChIInChI=1S/C14H14N2O/c1-9(17)10-2-4-11(5-3-10)13-8-12(15)6-7-14(13)16/h2-8H,15-16H2,1H3
InChIKeyGQVLXLPDXYUFOV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.72
Rot. Bonds2

About 1-[4-(2,5-diaminophenyl)phenyl]ethanone

1-[4-(2,5-diaminophenyl)phenyl]ethanone (PubChem CID 18371663) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[4-(2,5-diaminophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-diaminophenyl)phenyl]ethanone
PubChem CID18371663
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[4-(2,5-diaminophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)ccc2N)cc1
InChIInChI=1S/C14H14N2O/c1-9(17)10-2-4-11(5-3-10)13-8-12(15)6-7-14(13)16/h2-8H,15-16H2,1H3
InChIKeyGQVLXLPDXYUFOV-UHFFFAOYSA-N
XLogP2.72
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-amino-2-(4-aminophenyl)phenyl]ethanone
CID 22756817
1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone
CID 18798921
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
4-amino-3-(4-tert-butylphenyl)benzoic acid
CID 82305590
1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
CID 69412326
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
CID 20641223
4-amino-3-(3,5-dimethylphenyl)benzoic acid
CID 82292985
ethane;methyl 4-(5-amino-2-methylphenyl)benzoate
CID 142234774
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-diaminophenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,5-diaminophenyl)phenyl]ethanone (CID 18371663) is 1-[4-(2,5-diaminophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,5-diaminophenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,5-diaminophenyl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(N)ccc2N)cc1.
What is the InChIKey of 1-[4-(2,5-diaminophenyl)phenyl]ethanone?
The InChIKey is GQVLXLPDXYUFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(17)10-2-4-11(5-3-10)13-8-12(15)6-7-14(13)16/h2-8H,15-16H2,1H3.
What are the key properties of 1-[4-(2,5-diaminophenyl)phenyl]ethanone?
1-[4-(2,5-diaminophenyl)phenyl]ethanone has a molecular weight of 226.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-diaminophenyl)phenyl]ethanone is sourced from PubChem (CID 18371663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).