3-(2-bromophenyl)-1-phenylprop-2-en-1-imine

C15H12BrN — CID 134822160

IUPAC3-(2-bromophenyl)-1-phenylprop-2-en-1-imine
SMILES[H]/N=C(\C=Cc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H12BrN/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11,17H/b11-10?,17-15+
InChIKeyROVKWPRSWOLRSF-RROKCXDFSA-N
MW286.17 g/mol
LogP4.53
Rot. Bonds3

About 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine

3-(2-bromophenyl)-1-phenylprop-2-en-1-imine (PubChem CID 134822160) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-phenylprop-2-en-1-imine
PubChem CID134822160
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name3-(2-bromophenyl)-1-phenylprop-2-en-1-imine
SMILES[H]/N=C(\C=Cc1ccccc1Br)c1ccccc1
InChIInChI=1S/C15H12BrN/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11,17H/b11-10?,17-15+
InChIKeyROVKWPRSWOLRSF-RROKCXDFSA-N
XLogP4.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-Bromophenyl)ethylidene]hydrazinecarboximidamide
CID 5930139
2-[(Z)-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]amino]guanidine
CID 50915177
2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52950037
CID 90668198
CID 90668198
2-[(Z)-[(E)-3-(2-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52943814
Methanone, (4-bromophenyl)phenyl-, hydrazone
CID 5875652
[(Z)-[(E)-3-(2-bromophenyl)-1-phenylprop-2-enylidene]amino]thiourea
CID 54772086
(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine
CID 70681134
Ethanone, hydrazone
CID 5380952
(E)-1-(3-bromophenyl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]ethanimine
CID 9615498
(E)-1-(2-bromophenyl)propan-2-one oxime
CID 89415418
(1E,2E)-bis[1-(4-bromophenyl)ethylidene]hydrazine
CID 5512925

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine?
The IUPAC name of 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine (CID 134822160) is 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine.
What is the SMILES notation for 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine?
The canonical SMILES for 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine is [H]/N=C(\C=Cc1ccccc1Br)c1ccccc1.
What is the InChIKey of 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine?
The InChIKey is ROVKWPRSWOLRSF-RROKCXDFSA-N. The full InChI is InChI=1S/C15H12BrN/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11,17H/b11-10?,17-15+.
What are the key properties of 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine?
3-(2-bromophenyl)-1-phenylprop-2-en-1-imine has a molecular weight of 286.17 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-phenylprop-2-en-1-imine is sourced from PubChem (CID 134822160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).