O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine

C17H17ClN2O — CID 70453753

IUPACO-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine
SMILESNO/C(=C(/c1ccc(Cl)cc1)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-7-3-12(4-8-14)16(11-1-2-11)17(21-20)13-5-9-15(19)10-6-13/h3-11H,1-2,19-20H2/b17-16+
InChIKeyOJJXCGBZJIMYEQ-WUKNDPDISA-N
MW300.79 g/mol
LogP4.09
Rot. Bonds4

About O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine

O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine (PubChem CID 70453753) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine
PubChem CID70453753
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameO-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine
SMILESNO/C(=C(/c1ccc(Cl)cc1)C1CC1)c1ccc(N)cc1
InChIInChI=1S/C17H17ClN2O/c18-14-7-3-12(4-8-14)16(11-1-2-11)17(21-20)13-5-9-15(19)10-6-13/h3-11H,1-2,19-20H2/b17-16+
InChIKeyOJJXCGBZJIMYEQ-WUKNDPDISA-N
XLogP4.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine?
The IUPAC name of O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine (CID 70453753) is O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine.
What is the SMILES notation for O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine?
The canonical SMILES for O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine is NO/C(=C(/c1ccc(Cl)cc1)C1CC1)c1ccc(N)cc1.
What is the InChIKey of O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine?
The InChIKey is OJJXCGBZJIMYEQ-WUKNDPDISA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-7-3-12(4-8-14)16(11-1-2-11)17(21-20)13-5-9-15(19)10-6-13/h3-11H,1-2,19-20H2/b17-16+.
What are the key properties of O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine?
O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine has a molecular weight of 300.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-1-(4-aminophenyl)-2-(4-chlorophenyl)-2-cyclopropylethenyl]hydroxylamine is sourced from PubChem (CID 70453753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).