1-(4-bromophenyl)-N-phenylpropan-1-imine

C15H14BrN — CID 11644937

IUPAC1-(4-bromophenyl)-N-phenylpropan-1-imine
SMILESCC/C(=N\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN/c1-2-15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h3-11H,2H2,1H3/b17-15+
InChIKeySASOGLUYPOINRE-BMRADRMJSA-N
MW288.19 g/mol
LogP4.98
Rot. Bonds3

About 1-(4-bromophenyl)-N-phenylpropan-1-imine

1-(4-bromophenyl)-N-phenylpropan-1-imine (PubChem CID 11644937) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-phenylpropan-1-imine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-phenylpropan-1-imine
PubChem CID11644937
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name1-(4-bromophenyl)-N-phenylpropan-1-imine
SMILESCC/C(=N\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN/c1-2-15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h3-11H,2H2,1H3/b17-15+
InChIKeySASOGLUYPOINRE-BMRADRMJSA-N
XLogP4.98
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 ≤ 54.98
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 1-(4-bromophenyl)-N-phenylpropan-1-imine?
The IUPAC name of 1-(4-bromophenyl)-N-phenylpropan-1-imine (CID 11644937) is 1-(4-bromophenyl)-N-phenylpropan-1-imine.
What is the SMILES notation for 1-(4-bromophenyl)-N-phenylpropan-1-imine?
The canonical SMILES for 1-(4-bromophenyl)-N-phenylpropan-1-imine is CC/C(=N\c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-phenylpropan-1-imine?
The InChIKey is SASOGLUYPOINRE-BMRADRMJSA-N. The full InChI is InChI=1S/C15H14BrN/c1-2-15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h3-11H,2H2,1H3/b17-15+.
What are the key properties of 1-(4-bromophenyl)-N-phenylpropan-1-imine?
1-(4-bromophenyl)-N-phenylpropan-1-imine has a molecular weight of 288.19 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-phenylpropan-1-imine is sourced from PubChem (CID 11644937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).