(NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine

C15H14BrNO2 — CID 6898195

IUPAC(NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccc(COc2ccc(Br)cc2/C=N/O)cc1
InChIInChI=1S/C15H14BrNO2/c1-11-2-4-12(5-3-11)10-19-15-7-6-14(16)8-13(15)9-17-18/h2-9,18H,10H2,1H3/b17-9+
InChIKeyFQMYXPDAYYKMCF-RQZCQDPDSA-N
MW320.19 g/mol
LogP4.14
Rot. Bonds4

About (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 6898195) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID6898195
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESCc1ccc(COc2ccc(Br)cc2/C=N/O)cc1
InChIInChI=1S/C15H14BrNO2/c1-11-2-4-12(5-3-11)10-19-15-7-6-14(16)8-13(15)9-17-18/h2-9,18H,10H2,1H3/b17-9+
InChIKeyFQMYXPDAYYKMCF-RQZCQDPDSA-N
XLogP4.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.14
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 (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 6898195) is (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is Cc1ccc(COc2ccc(Br)cc2/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is FQMYXPDAYYKMCF-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11-2-4-12(5-3-11)10-19-15-7-6-14(16)8-13(15)9-17-18/h2-9,18H,10H2,1H3/b17-9+.
What are the key properties of (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 320.19 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6898195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).