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

C15H14BrN — CID 101031661

IUPACN-benzyl-1-(3-bromophenyl)ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrN/c1-12(14-8-5-9-15(16)10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3/b17-12+
InChIKeyFCUPHSSZJOOBCY-SFQUDFHCSA-N
MW288.19 g/mol
LogP4.46
Rot. Bonds3

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

N-benzyl-1-(3-bromophenyl)ethanimine (PubChem CID 101031661) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is N-benzyl-1-(3-bromophenyl)ethanimine.

Molecular Properties

Compound NameN-benzyl-1-(3-bromophenyl)ethanimine
PubChem CID101031661
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC NameN-benzyl-1-(3-bromophenyl)ethanimine
SMILESC/C(=N\Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrN/c1-12(14-8-5-9-15(16)10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3/b17-12+
InChIKeyFCUPHSSZJOOBCY-SFQUDFHCSA-N
XLogP4.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.46
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

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6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
p-Bromobenzylidene-benzyl-amine
CID 525665
N-benzyl-1-(3-bromophenyl)methanimine
CID 2796512
N-benzyl-1-phenylethanimine
CID 297338
1-(3-bromophenyl)-N-phenylmethanimine
CID 459280
Benzenamine, N-[1-(4-bromophenyl)ethylidene]-
CID 641181
4-Bromo-N-[(4-bromophenyl)methylene]benzenemethanamine
CID 85840300
N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine
CID 101453925
4-bromo-7-phenyl-5H-benzo[d][2]benzazepine
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N-benzyl-1-(2-bromophenyl)methanimine
CID 11184910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-bromophenyl)ethanimine?
The IUPAC name of N-benzyl-1-(3-bromophenyl)ethanimine (CID 101031661) is N-benzyl-1-(3-bromophenyl)ethanimine.
What is the SMILES notation for N-benzyl-1-(3-bromophenyl)ethanimine?
The canonical SMILES for N-benzyl-1-(3-bromophenyl)ethanimine is C/C(=N\Cc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-benzyl-1-(3-bromophenyl)ethanimine?
The InChIKey is FCUPHSSZJOOBCY-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H14BrN/c1-12(14-8-5-9-15(16)10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3/b17-12+.
What are the key properties of N-benzyl-1-(3-bromophenyl)ethanimine?
N-benzyl-1-(3-bromophenyl)ethanimine has a molecular weight of 288.19 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-bromophenyl)ethanimine is sourced from PubChem (CID 101031661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).