(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine

C15H12BrN — CID 135076458

IUPAC(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
SMILESBrc1ccc(/C=C/C=N/c2ccccc2)cc1
InChIInChI=1S/C15H12BrN/c16-14-10-8-13(9-11-14)5-4-12-17-15-6-2-1-3-7-15/h1-12H/b5-4+,17-12+
InChIKeyQKWFFETZXLBXNN-LIRSHIKOSA-N
MW286.17 g/mol
LogP4.86
Rot. Bonds3

About (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine

(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine (PubChem CID 135076458) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
PubChem CID135076458
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
SMILESBrc1ccc(/C=C/C=N/c2ccccc2)cc1
InChIInChI=1S/C15H12BrN/c16-14-10-8-13(9-11-14)5-4-12-17-15-6-2-1-3-7-15/h1-12H/b5-4+,17-12+
InChIKeyQKWFFETZXLBXNN-LIRSHIKOSA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.86
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

(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-(4-iodophenyl)-3-phenylprop-2-en-1-imine
CID 554999
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(4-bromophenyl)prop-2-en-1-imine
CID 2833245
methyl 4-[(E)-3-phenyliminoprop-1-enyl]benzoate
CID 11514500
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
CID 6247301
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
N-phenylpenta-2,4-dien-1-imine
CID 123454989
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
CID 10726275
(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 6302344
4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 93012826
1-[4-(cinnamylideneamino)phenyl]ethanone
CID 3705604
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine?
The IUPAC name of (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine (CID 135076458) is (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine is Brc1ccc(/C=C/C=N/c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine?
The InChIKey is QKWFFETZXLBXNN-LIRSHIKOSA-N. The full InChI is InChI=1S/C15H12BrN/c16-14-10-8-13(9-11-14)5-4-12-17-15-6-2-1-3-7-15/h1-12H/b5-4+,17-12+.
What are the key properties of (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine?
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine has a molecular weight of 286.17 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine is sourced from PubChem (CID 135076458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).