1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine

C17H16Br2N2O2 — CID 2826848

IUPAC1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
SMILESCC(=NOCON=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16Br2N2O2/c1-12(14-3-7-16(18)8-4-14)20-22-11-23-21-13(2)15-5-9-17(19)10-6-15/h3-10H,11H2,1-2H3
InChIKeyDRLWCKIVZCIKCQ-UHFFFAOYSA-N
MW440.14 g/mol
LogP5.35
Rot. Bonds6

About 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine

1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine (PubChem CID 2826848) has the molecular formula C17H16Br2N2O2 and a molecular weight of 440.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
PubChem CID2826848
Molecular FormulaC17H16Br2N2O2
Molecular Weight440.14 g/mol
Exact Mass437.96
IUPAC Name1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
SMILESCC(=NOCON=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H16Br2N2O2/c1-12(14-3-7-16(18)8-4-14)20-22-11-23-21-13(2)15-5-9-17(19)10-6-15/h3-10H,11H2,1-2H3
InChIKeyDRLWCKIVZCIKCQ-UHFFFAOYSA-N
XLogP5.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.14
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2827934
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate
CID 5382095
methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
CID 20667514
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide
CID 54612261
[1-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)-N-[4-(4-bromobenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate
CID 76742398
1-(4-bromophenyl)-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684356
(propan-2-ylideneamino) 4-bromobenzoate
CID 708182
(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine
CID 102088102
2-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]oxyacetic acid
CID 58663104

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine (CID 2826848) is 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine is CC(=NOCON=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine?
The InChIKey is DRLWCKIVZCIKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O2/c1-12(14-3-7-16(18)8-4-14)20-22-11-23-21-13(2)15-5-9-17(19)10-6-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine?
1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine has a molecular weight of 440.14 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine is sourced from PubChem (CID 2826848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).