1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine

C17H16BrN — CID 145462827

IUPAC1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
SMILESC/C=C(\N=C(/C)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H16BrN/c1-3-17(15-7-5-4-6-8-15)19-13(2)14-9-11-16(18)12-10-14/h3-12H,1-2H3/b17-3-,19-13+
InChIKeyAIPWBJQBBVHOJD-MTJFTAEOSA-N
MW314.23 g/mol
LogP5.32
Rot. Bonds3

About 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine

1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine (PubChem CID 145462827) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
PubChem CID145462827
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
SMILESC/C=C(\N=C(/C)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H16BrN/c1-3-17(15-7-5-4-6-8-15)19-13(2)14-9-11-16(18)12-10-14/h3-12H,1-2H3/b17-3-,19-13+
InChIKeyAIPWBJQBBVHOJD-MTJFTAEOSA-N
XLogP5.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.32
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

N-[(E)-1,2-diphenylethenyl]-1-phenylethanimine
CID 14709228
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
CID 122389221
1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine
CID 155049501
N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-1-phenylethanimine
CID 126661807
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide
CID 54612261
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine (CID 145462827) is 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine is C/C=C(\N=C(/C)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine?
The InChIKey is AIPWBJQBBVHOJD-MTJFTAEOSA-N. The full InChI is InChI=1S/C17H16BrN/c1-3-17(15-7-5-4-6-8-15)19-13(2)14-9-11-16(18)12-10-14/h3-12H,1-2H3/b17-3-,19-13+.
What are the key properties of 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine?
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine has a molecular weight of 314.23 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine is sourced from PubChem (CID 145462827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).