3-bis(3-aminophenyl)phosphorylaniline

C18H18N3OP — CID 2779444

IUPAC3-bis(3-aminophenyl)phosphorylaniline
SMILESNc1cccc(P(=O)(c2cccc(N)c2)c2cccc(N)c2)c1
InChIInChI=1S/C18H18N3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,19-21H2
InChIKeyBPKSEVADQCRIBR-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.07
Rot. Bonds3

About 3-bis(3-aminophenyl)phosphorylaniline

3-bis(3-aminophenyl)phosphorylaniline (PubChem CID 2779444) has the molecular formula C18H18N3OP and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-bis(3-aminophenyl)phosphorylaniline.

Molecular Properties

Compound Name3-bis(3-aminophenyl)phosphorylaniline
PubChem CID2779444
Molecular FormulaC18H18N3OP
Molecular Weight323.34 g/mol
Exact Mass323.12
IUPAC Name3-bis(3-aminophenyl)phosphorylaniline
SMILESNc1cccc(P(=O)(c2cccc(N)c2)c2cccc(N)c2)c1
InChIInChI=1S/C18H18N3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,19-21H2
InChIKeyBPKSEVADQCRIBR-UHFFFAOYSA-N
XLogP2.07
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bis(3-aminophenyl)phosphorylaniline?
The IUPAC name of 3-bis(3-aminophenyl)phosphorylaniline (CID 2779444) is 3-bis(3-aminophenyl)phosphorylaniline.
What is the SMILES notation for 3-bis(3-aminophenyl)phosphorylaniline?
The canonical SMILES for 3-bis(3-aminophenyl)phosphorylaniline is Nc1cccc(P(=O)(c2cccc(N)c2)c2cccc(N)c2)c1.
What is the InChIKey of 3-bis(3-aminophenyl)phosphorylaniline?
The InChIKey is BPKSEVADQCRIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3OP/c19-13-4-1-7-16(10-13)23(22,17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H,19-21H2.
What are the key properties of 3-bis(3-aminophenyl)phosphorylaniline?
3-bis(3-aminophenyl)phosphorylaniline has a molecular weight of 323.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(3-aminophenyl)phosphorylaniline is sourced from PubChem (CID 2779444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).