(4-dichlorophosphanylphenyl)methanamine

C7H8Cl2NP — CID 150021322

IUPAC(4-dichlorophosphanylphenyl)methanamine
SMILESNCc1ccc(P(Cl)Cl)cc1
InChIInChI=1S/C7H8Cl2NP/c8-11(9)7-3-1-6(5-10)2-4-7/h1-4H,5,10H2
InChIKeyDFHSDSOKUONELB-UHFFFAOYSA-N
MW208.03 g/mol
LogP2.56
Rot. Bonds2

About (4-dichlorophosphanylphenyl)methanamine

(4-dichlorophosphanylphenyl)methanamine (PubChem CID 150021322) has the molecular formula C7H8Cl2NP and a molecular weight of 208.03 g/mol. Its IUPAC name is (4-dichlorophosphanylphenyl)methanamine.

Molecular Properties

Compound Name(4-dichlorophosphanylphenyl)methanamine
PubChem CID150021322
Molecular FormulaC7H8Cl2NP
Molecular Weight208.03 g/mol
Exact Mass206.98
IUPAC Name(4-dichlorophosphanylphenyl)methanamine
SMILESNCc1ccc(P(Cl)Cl)cc1
InChIInChI=1S/C7H8Cl2NP/c8-11(9)7-3-1-6(5-10)2-4-7/h1-4H,5,10H2
InChIKeyDFHSDSOKUONELB-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.03
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-dichlorophosphanylphenyl)methanamine 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-dichlorophosphanylphenyl)methanamine?
The IUPAC name of (4-dichlorophosphanylphenyl)methanamine (CID 150021322) is (4-dichlorophosphanylphenyl)methanamine.
What is the SMILES notation for (4-dichlorophosphanylphenyl)methanamine?
The canonical SMILES for (4-dichlorophosphanylphenyl)methanamine is NCc1ccc(P(Cl)Cl)cc1.
What is the InChIKey of (4-dichlorophosphanylphenyl)methanamine?
The InChIKey is DFHSDSOKUONELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2NP/c8-11(9)7-3-1-6(5-10)2-4-7/h1-4H,5,10H2.
What are the key properties of (4-dichlorophosphanylphenyl)methanamine?
(4-dichlorophosphanylphenyl)methanamine has a molecular weight of 208.03 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dichlorophosphanylphenyl)methanamine is sourced from PubChem (CID 150021322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).