N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine

C16H16BrN — CID 3553988

IUPACN-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN/c1-12(2)14-5-3-13(4-6-14)11-18-16-9-7-15(17)8-10-16/h3-12H,1-2H3/b18-11+
InChIKeyAIYCOUKSOKZKQA-WOJGMQOQSA-N
MW302.22 g/mol
LogP5.32
Rot. Bonds3

About N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine

N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine (PubChem CID 3553988) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine
PubChem CID3553988
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC NameN-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN/c1-12(2)14-5-3-13(4-6-14)11-18-16-9-7-15(17)8-10-16/h3-12H,1-2H3/b18-11+
InChIKeyAIYCOUKSOKZKQA-WOJGMQOQSA-N
XLogP5.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.22
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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine (CID 3553988) is N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/C=N/c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine?
The InChIKey is AIYCOUKSOKZKQA-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16BrN/c1-12(2)14-5-3-13(4-6-14)11-18-16-9-7-15(17)8-10-16/h3-12H,1-2H3/b18-11+.
What are the key properties of N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine?
N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine has a molecular weight of 302.22 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 N-(4-bromophenyl)-1-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 3553988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).