1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine

C13H13ClNP — CID 143489963

IUPAC1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine
SMILESPNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H13ClNP/c14-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-15-16/h1-8,15H,9,16H2
InChIKeyPMIGGQHJRCIPAK-UHFFFAOYSA-N
MW249.68 g/mol
LogP3.89
Rot. Bonds3

About 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine

1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine (PubChem CID 143489963) has the molecular formula C13H13ClNP and a molecular weight of 249.68 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine
PubChem CID143489963
Molecular FormulaC13H13ClNP
Molecular Weight249.68 g/mol
Exact Mass249.05
IUPAC Name1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine
SMILESPNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H13ClNP/c14-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-15-16/h1-8,15H,9,16H2
InChIKeyPMIGGQHJRCIPAK-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine 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 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine (CID 143489963) is 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine is PNCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine?
The InChIKey is PMIGGQHJRCIPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClNP/c14-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-15-16/h1-8,15H,9,16H2.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine?
1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine has a molecular weight of 249.68 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]-N-phosphanylmethanamine is sourced from PubChem (CID 143489963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).