1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine

C21H19BrNP — CID 122654232

IUPAC1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine
SMILESBrc1ccccc1/C=N/CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19BrNP/c22-21-14-8-7-9-18(21)17-23-15-16-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,17H,15-16H2/b23-17+
InChIKeyMNQLCRLWVNRHEL-HAVVHWLPSA-N
MW396.27 g/mol
LogP5.00
Rot. Bonds6

About 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine

1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine (PubChem CID 122654232) has the molecular formula C21H19BrNP and a molecular weight of 396.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine
PubChem CID122654232
Molecular FormulaC21H19BrNP
Molecular Weight396.27 g/mol
Exact Mass395.04
IUPAC Name1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine
SMILESBrc1ccccc1/C=N/CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19BrNP/c22-21-14-8-7-9-18(21)17-23-15-16-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,17H,15-16H2/b23-17+
InChIKeyMNQLCRLWVNRHEL-HAVVHWLPSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine?
The IUPAC name of 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine (CID 122654232) is 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine?
The canonical SMILES for 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine is Brc1ccccc1/C=N/CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine?
The InChIKey is MNQLCRLWVNRHEL-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H19BrNP/c22-21-14-8-7-9-18(21)17-23-15-16-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,17H,15-16H2/b23-17+.
What are the key properties of 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine?
1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine has a molecular weight of 396.27 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(2-diphenylphosphanylethyl)methanimine is sourced from PubChem (CID 122654232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).