(NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine

C17H19FN2O — CID 166062069

IUPAC(NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(Nc2ccc(/C=N\O)cc2)cc1F
InChIInChI=1S/C17H19FN2O/c1-17(2,3)15-9-8-14(10-16(15)18)20-13-6-4-12(5-7-13)11-19-21/h4-11,20-21H,1-3H3/b19-11-
InChIKeyHVMDNNSTFXIUCT-ODLFYWEKSA-N
MW286.35 g/mol
LogP4.67
Rot. Bonds3

About (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine

(NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine (PubChem CID 166062069) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine
PubChem CID166062069
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(Nc2ccc(/C=N\O)cc2)cc1F
InChIInChI=1S/C17H19FN2O/c1-17(2,3)15-9-8-14(10-16(15)18)20-13-6-4-12(5-7-13)11-19-21/h4-11,20-21H,1-3H3/b19-11-
InChIKeyHVMDNNSTFXIUCT-ODLFYWEKSA-N
XLogP4.67
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.67
H-Bond Donors ≤ 52
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 (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine (CID 166062069) is (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine is CC(C)(C)c1ccc(Nc2ccc(/C=N\O)cc2)cc1F.
What is the InChIKey of (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine?
The InChIKey is HVMDNNSTFXIUCT-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-17(2,3)15-9-8-14(10-16(15)18)20-13-6-4-12(5-7-13)11-19-21/h4-11,20-21H,1-3H3/b19-11-.
What are the key properties of (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine has a molecular weight of 286.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 166062069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).