4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline

C18H15N2OP — CID 54227138

IUPAC4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline
SMILESNc1ccc(-c2cccc(P=O)c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C18H15N2OP/c19-14-8-4-12(5-9-14)16-2-1-3-17(22-21)18(16)13-6-10-15(20)11-7-13/h1-11H,19-20H2
InChIKeyQGQMIGVJGPLVGK-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.10
Rot. Bonds3

About 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline

4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline (PubChem CID 54227138) has the molecular formula C18H15N2OP and a molecular weight of 306.31 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline
PubChem CID54227138
Molecular FormulaC18H15N2OP
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Name4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline
SMILESNc1ccc(-c2cccc(P=O)c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C18H15N2OP/c19-14-8-4-12(5-9-14)16-2-1-3-17(22-21)18(16)13-6-10-15(20)11-7-13/h1-11H,19-20H2
InChIKeyQGQMIGVJGPLVGK-UHFFFAOYSA-N
XLogP4.10
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline?
The IUPAC name of 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline (CID 54227138) is 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline.
What is the SMILES notation for 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline?
The canonical SMILES for 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline is Nc1ccc(-c2cccc(P=O)c2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline?
The InChIKey is QGQMIGVJGPLVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2OP/c19-14-8-4-12(5-9-14)16-2-1-3-17(22-21)18(16)13-6-10-15(20)11-7-13/h1-11H,19-20H2.
What are the key properties of 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline?
4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline has a molecular weight of 306.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)-3-phosphorosophenyl]aniline is sourced from PubChem (CID 54227138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).