N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline

C10H14Cl3N2OP — CID 4567835

IUPACN-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline
SMILESCOc1ccc(NP(N(C)C)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H14Cl3N2OP/c1-15(2)17(10(11,12)13)14-8-4-6-9(16-3)7-5-8/h4-7,14H,1-3H3
InChIKeyQLWMOMBVMGAFHP-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.31
Rot. Bonds4

About N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline

N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline (PubChem CID 4567835) has the molecular formula C10H14Cl3N2OP and a molecular weight of 315.57 g/mol. Its IUPAC name is N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline
PubChem CID4567835
Molecular FormulaC10H14Cl3N2OP
Molecular Weight315.57 g/mol
Exact Mass313.99
IUPAC NameN-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline
SMILESCOc1ccc(NP(N(C)C)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H14Cl3N2OP/c1-15(2)17(10(11,12)13)14-8-4-6-9(16-3)7-5-8/h4-7,14H,1-3H3
InChIKeyQLWMOMBVMGAFHP-UHFFFAOYSA-N
XLogP4.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline 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 N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline?
The IUPAC name of N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline (CID 4567835) is N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline.
What is the SMILES notation for N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline?
The canonical SMILES for N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline is COc1ccc(NP(N(C)C)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline?
The InChIKey is QLWMOMBVMGAFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl3N2OP/c1-15(2)17(10(11,12)13)14-8-4-6-9(16-3)7-5-8/h4-7,14H,1-3H3.
What are the key properties of N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline?
N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline has a molecular weight of 315.57 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline is sourced from PubChem (CID 4567835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).