N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine

C20H16BrN — CID 2730983

IUPACN-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine
SMILESCc1cc(Br)ccc1/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16BrN/c1-15-13-19(21)11-12-20(15)22-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-14H,1H3/b22-14+
InChIKeyUMLNMQFQGISLPY-HYARGMPZSA-N
MW350.26 g/mol
LogP6.18
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine

N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine (PubChem CID 2730983) has the molecular formula C20H16BrN and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine
PubChem CID2730983
Molecular FormulaC20H16BrN
Molecular Weight350.26 g/mol
Exact Mass349.05
IUPAC NameN-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine
SMILESCc1cc(Br)ccc1/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16BrN/c1-15-13-19(21)11-12-20(15)22-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-14H,1H3/b22-14+
InChIKeyUMLNMQFQGISLPY-HYARGMPZSA-N
XLogP6.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine (CID 2730983) is N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine is Cc1cc(Br)ccc1/N=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine?
The InChIKey is UMLNMQFQGISLPY-HYARGMPZSA-N. The full InChI is InChI=1S/C20H16BrN/c1-15-13-19(21)11-12-20(15)22-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-14H,1H3/b22-14+.
What are the key properties of N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine?
N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine has a molecular weight of 350.26 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-(4-phenylphenyl)methanimine is sourced from PubChem (CID 2730983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).