1,3-dibromo-N-phenylpropan-2-imine

C9H9Br2N — CID 159189914

IUPAC1,3-dibromo-N-phenylpropan-2-imine
SMILESBrCC(CBr)=Nc1ccccc1
InChIInChI=1S/C9H9Br2N/c10-6-9(7-11)12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyHVPLBYNHVPRJAU-UHFFFAOYSA-N
MW290.99 g/mol
LogP3.55
Rot. Bonds3

About 1,3-dibromo-N-phenylpropan-2-imine

1,3-dibromo-N-phenylpropan-2-imine (PubChem CID 159189914) has the molecular formula C9H9Br2N and a molecular weight of 290.99 g/mol. Its IUPAC name is 1,3-dibromo-N-phenylpropan-2-imine.

Molecular Properties

Compound Name1,3-dibromo-N-phenylpropan-2-imine
PubChem CID159189914
Molecular FormulaC9H9Br2N
Molecular Weight290.99 g/mol
Exact Mass288.91
IUPAC Name1,3-dibromo-N-phenylpropan-2-imine
SMILESBrCC(CBr)=Nc1ccccc1
InChIInChI=1S/C9H9Br2N/c10-6-9(7-11)12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyHVPLBYNHVPRJAU-UHFFFAOYSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.99
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyliminopropane-1,3-diol
CID 159189915
N,1-diphenylbutan-2-imine
CID 13015455
dibromoiron;2-N,3-N-diphenylbutane-2,3-diimine
CID 164938268
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
bis(2-phenylguanidine);dihydrochloride
CID 160984545
ethanol;2-phenylguanidine
CID 172840613
deuteriomethane;ethane;2-phenylguanidine
CID 91130505
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate;hydrobromide
CID 54605449
2-phenyl-2-phenyliminoethanamine
CID 118895747
N,2,2-triphenylethanimidoyl bromide
CID 134873413
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-N-phenylpropan-2-imine?
The IUPAC name of 1,3-dibromo-N-phenylpropan-2-imine (CID 159189914) is 1,3-dibromo-N-phenylpropan-2-imine.
What is the SMILES notation for 1,3-dibromo-N-phenylpropan-2-imine?
The canonical SMILES for 1,3-dibromo-N-phenylpropan-2-imine is BrCC(CBr)=Nc1ccccc1.
What is the InChIKey of 1,3-dibromo-N-phenylpropan-2-imine?
The InChIKey is HVPLBYNHVPRJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N/c10-6-9(7-11)12-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1,3-dibromo-N-phenylpropan-2-imine?
1,3-dibromo-N-phenylpropan-2-imine has a molecular weight of 290.99 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-N-phenylpropan-2-imine is sourced from PubChem (CID 159189914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).