1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine

C16H14BrN — CID 145243332

IUPAC1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H14BrN/c1-12(14-7-4-3-5-8-14)18-13(2)15-9-6-10-16(17)11-15/h3-11H,1H2,2H3/b18-13+
InChIKeyMEJQSNDOVSWLCK-QGOAFFKASA-N
MW300.20 g/mol
LogP4.93
Rot. Bonds3

About 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine

1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine (PubChem CID 145243332) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
PubChem CID145243332
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H14BrN/c1-12(14-7-4-3-5-8-14)18-13(2)15-9-6-10-16(17)11-15/h3-11H,1H2,2H3/b18-13+
InChIKeyMEJQSNDOVSWLCK-QGOAFFKASA-N
XLogP4.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane
CID 145257325
N-[1-(3-bromophenyl)ethylidene]butanamide
CID 89273073
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
CID 174355940
3-bromobenzoic acid;ethane
CID 143530590
1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine
CID 134331110
1-bromo-3-[(2E)-penta-2,4-dien-2-yl]benzene
CID 137396567
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034
(Z,2E)-N'-[(E)-1-(3-bromophenyl)but-1-enyl]-2-ethylidene-N-(1-phenylethylidene)pent-3-enimidamide
CID 144892656
N'-methyl-2-(1-phenylethenylimino)propanimidamide
CID 123327776
1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene
CID 138039782

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine?
The IUPAC name of 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine (CID 145243332) is 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine is C=C(/N=C(\C)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine?
The InChIKey is MEJQSNDOVSWLCK-QGOAFFKASA-N. The full InChI is InChI=1S/C16H14BrN/c1-12(14-7-4-3-5-8-14)18-13(2)15-9-6-10-16(17)11-15/h3-11H,1H2,2H3/b18-13+.
What are the key properties of 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine?
1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine has a molecular weight of 300.20 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine is sourced from PubChem (CID 145243332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).