1-[2-amino-4-(3-aminophenyl)phenyl]ethanone

C14H14N2O — CID 68790050

IUPAC1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(N)c2)cc1N
InChIInChI=1S/C14H14N2O/c1-9(17)13-6-5-11(8-14(13)16)10-3-2-4-12(15)7-10/h2-8H,15-16H2,1H3
InChIKeyFLAHSRTWAUBYEK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.72
Rot. Bonds2

About 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone

1-[2-amino-4-(3-aminophenyl)phenyl]ethanone (PubChem CID 68790050) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
PubChem CID68790050
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[2-amino-4-(3-aminophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(N)c2)cc1N
InChIInChI=1S/C14H14N2O/c1-9(17)13-6-5-11(8-14(13)16)10-3-2-4-12(15)7-10/h2-8H,15-16H2,1H3
InChIKeyFLAHSRTWAUBYEK-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

[4-(3-aminophenyl)phenyl] acetate
CID 68785053
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
3-(3-aminophenyl)aniline;sulfane
CID 175159845
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine
CID 68788590
4-(3-aminophenyl)benzoic acid;hydrochloride
CID 2756354
5-(3-aminophenyl)-2-methylsulfanylaniline
CID 68789628
methyl 2-amino-4-phenylbenzoate
CID 53412316
4-(3-aminophenyl)-2-nitrobenzoic acid
CID 53224928
[4-amino-3-(3-aminophenyl)phenyl] acetate
CID 68787000

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone (CID 68790050) is 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone is CC(=O)c1ccc(-c2cccc(N)c2)cc1N.
What is the InChIKey of 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone?
The InChIKey is FLAHSRTWAUBYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(17)13-6-5-11(8-14(13)16)10-3-2-4-12(15)7-10/h2-8H,15-16H2,1H3.
What are the key properties of 1-[2-amino-4-(3-aminophenyl)phenyl]ethanone?
1-[2-amino-4-(3-aminophenyl)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-[2-amino-4-(3-aminophenyl)phenyl]ethanone is sourced from PubChem (CID 68790050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).