O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine

C13H11Cl2NO — CID 155564614

IUPACO-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine
SMILESNOC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9/h1-8,13H,16H2
InChIKeyXCHGGCIDOABCOF-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.97
Rot. Bonds3

About O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine

O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine (PubChem CID 155564614) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine
PubChem CID155564614
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC NameO-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine
SMILESNOC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9/h1-8,13H,16H2
InChIKeyXCHGGCIDOABCOF-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine 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 O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine?
The IUPAC name of O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine (CID 155564614) is O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine.
What is the SMILES notation for O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine?
The canonical SMILES for O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine is NOC(c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine?
The InChIKey is XCHGGCIDOABCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9/h1-8,13H,16H2.
What are the key properties of O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine?
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine has a molecular weight of 268.14 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine is sourced from PubChem (CID 155564614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).