O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride

C13H13Cl2NO — CID 155520170

IUPACO-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO.ClH/c14-12-8-6-11(7-9-12)13(16-15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
InChIKeyQATIKBIGSDAPRI-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.74
Rot. Bonds3

About O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride

O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride (PubChem CID 155520170) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
PubChem CID155520170
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC NameO-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO.ClH/c14-12-8-6-11(7-9-12)13(16-15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
InChIKeyQATIKBIGSDAPRI-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride (CID 155520170) is O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride is Cl.NOC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The InChIKey is QATIKBIGSDAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO.ClH/c14-12-8-6-11(7-9-12)13(16-15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H.
What are the key properties of O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 155520170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).