O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride

C13H13BrClNO — CID 155540952

IUPACO-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C13H12BrNO.ClH/c14-12-8-4-7-11(9-12)13(16-15)10-5-2-1-3-6-10;/h1-9,13H,15H2;1H
InChIKeyDRHMYSLIPCJNJZ-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.85
Rot. Bonds3

About O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride

O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride (PubChem CID 155540952) has the molecular formula C13H13BrClNO and a molecular weight of 314.61 g/mol. Its IUPAC name is O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride
PubChem CID155540952
Molecular FormulaC13H13BrClNO
Molecular Weight314.61 g/mol
Exact Mass312.99
IUPAC NameO-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride
SMILESCl.NOC(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C13H12BrNO.ClH/c14-12-8-4-7-11(9-12)13(16-15)10-5-2-1-3-6-10;/h1-9,13H,15H2;1H
InChIKeyDRHMYSLIPCJNJZ-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.85
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-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride (CID 155540952) is O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride is Cl.NOC(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
The InChIKey is DRHMYSLIPCJNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO.ClH/c14-12-8-4-7-11(9-12)13(16-15)10-5-2-1-3-6-10;/h1-9,13H,15H2;1H.
What are the key properties of O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride?
O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride has a molecular weight of 314.61 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-bromophenyl)-phenylmethyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 155540952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).