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

C13H12Cl3NO — CID 155564613

IUPACO-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO.ClH/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
InChIKeyNJJSJNMGOHDNGX-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.39
Rot. Bonds3

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

O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride (PubChem CID 155564613) has the molecular formula C13H12Cl3NO and a molecular weight of 304.60 g/mol. Its IUPAC name is O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
PubChem CID155564613
Molecular FormulaC13H12Cl3NO
Molecular Weight304.60 g/mol
Exact Mass303.00
IUPAC NameO-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO.ClH/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
InChIKeyNJJSJNMGOHDNGX-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.39
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;hydrochloride 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;hydrochloride?
The IUPAC name of O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride (CID 155564613) is O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride is Cl.NOC(c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The InChIKey is NJJSJNMGOHDNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO.ClH/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H.
What are the key properties of O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride has a molecular weight of 304.60 g/mol, XLogP of 4.39, 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;hydrochloride is sourced from PubChem (CID 155564613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).