N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine

C17H19NO2 — CID 704274

IUPACN-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine
SMILESCC(C)COc1ccc(C(=NO)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13(2)12-20-16-10-8-15(9-11-16)17(18-19)14-6-4-3-5-7-14/h3-11,13,19H,12H2,1-2H3
InChIKeyLOZKEOXUVYADAV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.95
Rot. Bonds5

About N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine

N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine (PubChem CID 704274) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine
PubChem CID704274
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine
SMILESCC(C)COc1ccc(C(=NO)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13(2)12-20-16-10-8-15(9-11-16)17(18-19)14-6-4-3-5-7-14/h3-11,13,19H,12H2,1-2H3
InChIKeyLOZKEOXUVYADAV-UHFFFAOYSA-N
XLogP3.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine (CID 704274) is N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine is CC(C)COc1ccc(C(=NO)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine?
The InChIKey is LOZKEOXUVYADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(2)12-20-16-10-8-15(9-11-16)17(18-19)14-6-4-3-5-7-14/h3-11,13,19H,12H2,1-2H3.
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine?
N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine has a molecular weight of 269.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 704274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).