O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine

C15H19N2O3P — CID 123496657

IUPACO-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine
SMILESCc1ccccc1COP(=O)(NCc1ccccc1)ON
InChIInChI=1S/C15H19N2O3P/c1-13-7-5-6-10-15(13)12-19-21(18,20-16)17-11-14-8-3-2-4-9-14/h2-10H,11-12,16H2,1H3,(H,17,18)
InChIKeyRRUWSVFGGAYNEV-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.30
Rot. Bonds7

About O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine

O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine (PubChem CID 123496657) has the molecular formula C15H19N2O3P and a molecular weight of 306.30 g/mol. Its IUPAC name is O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine.

Molecular Properties

Compound NameO-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine
PubChem CID123496657
Molecular FormulaC15H19N2O3P
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC NameO-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine
SMILESCc1ccccc1COP(=O)(NCc1ccccc1)ON
InChIInChI=1S/C15H19N2O3P/c1-13-7-5-6-10-15(13)12-19-21(18,20-16)17-11-14-8-3-2-4-9-14/h2-10H,11-12,16H2,1H3,(H,17,18)
InChIKeyRRUWSVFGGAYNEV-UHFFFAOYSA-N
XLogP3.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine?
The IUPAC name of O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine (CID 123496657) is O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine.
What is the SMILES notation for O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine?
The canonical SMILES for O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine is Cc1ccccc1COP(=O)(NCc1ccccc1)ON.
What is the InChIKey of O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine?
The InChIKey is RRUWSVFGGAYNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2O3P/c1-13-7-5-6-10-15(13)12-19-21(18,20-16)17-11-14-8-3-2-4-9-14/h2-10H,11-12,16H2,1H3,(H,17,18).
What are the key properties of O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine?
O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine has a molecular weight of 306.30 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(benzylamino)-[(2-methylphenyl)methoxy]phosphoryl]hydroxylamine is sourced from PubChem (CID 123496657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).