N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine

C15H13BrN2 — CID 102168481

IUPACN'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine
SMILESBrc1ccc(N=C=NCCc2ccccc2)cc1
InChIInChI=1S/C15H13BrN2/c16-14-6-8-15(9-7-14)18-12-17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyMMZXPQLMGPLWEM-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.50
Rot. Bonds4

About N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine

N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine (PubChem CID 102168481) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine
PubChem CID102168481
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC NameN'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine
SMILESBrc1ccc(N=C=NCCc2ccccc2)cc1
InChIInChI=1S/C15H13BrN2/c16-14-6-8-15(9-7-14)18-12-17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyMMZXPQLMGPLWEM-UHFFFAOYSA-N
XLogP4.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(4-bromophenyl)methanediimine
CID 88599059
N-(2-phenylethyl)ethenimine
CID 22722334
CID 164523807
CID 164523807
ethane;1-isocyanato-4-(2-phenylethyl)benzene
CID 157152622
1-bromopropane;propylbenzene
CID 158382353
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
2-isocyanatoethylbenzene;1-isocyanatooctadecane
CID 157275379
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
1-bromo-4-isoselenocyanatobenzene
CID 12982044
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine?
The IUPAC name of N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine (CID 102168481) is N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine.
What is the SMILES notation for N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine?
The canonical SMILES for N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine is Brc1ccc(N=C=NCCc2ccccc2)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine?
The InChIKey is MMZXPQLMGPLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-14-6-8-15(9-7-14)18-12-17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine?
N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine has a molecular weight of 301.19 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(2-phenylethyl)methanediimine is sourced from PubChem (CID 102168481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).