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

C16H14Br2N2 — CID 1380472

IUPAC1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine
SMILESCC(=NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2N2/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,1-2H3
InChIKeyDOXQSYRMLIQLTA-UHFFFAOYSA-N
MW394.11 g/mol
LogP5.44
Rot. Bonds3

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

1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine (PubChem CID 1380472) has the molecular formula C16H14Br2N2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine
PubChem CID1380472
Molecular FormulaC16H14Br2N2
Molecular Weight394.11 g/mol
Exact Mass391.95
IUPAC Name1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine
SMILESCC(=NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2N2/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,1-2H3
InChIKeyDOXQSYRMLIQLTA-UHFFFAOYSA-N
XLogP5.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.11
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine (CID 1380472) is 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine is CC(=NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine?
The InChIKey is DOXQSYRMLIQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine?
1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine has a molecular weight of 394.11 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethylideneamino]ethanimine is sourced from PubChem (CID 1380472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).