N,1-bis(4-bromophenyl)methanimine

C13H9Br2N — CID 525659

IUPACN,1-bis(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9Br2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyXHEOIZWWHIMMFR-CXUHLZMHSA-N
MW339.03 g/mol
LogP4.96
Rot. Bonds2

About N,1-bis(4-bromophenyl)methanimine

N,1-bis(4-bromophenyl)methanimine (PubChem CID 525659) has the molecular formula C13H9Br2N and a molecular weight of 339.03 g/mol. Its IUPAC name is N,1-bis(4-bromophenyl)methanimine.

Molecular Properties

Compound NameN,1-bis(4-bromophenyl)methanimine
PubChem CID525659
Molecular FormulaC13H9Br2N
Molecular Weight339.03 g/mol
Exact Mass336.91
IUPAC NameN,1-bis(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9Br2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyXHEOIZWWHIMMFR-CXUHLZMHSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 54.96
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,1-bis(4-bromophenyl)methanimine?
The IUPAC name of N,1-bis(4-bromophenyl)methanimine (CID 525659) is N,1-bis(4-bromophenyl)methanimine.
What is the SMILES notation for N,1-bis(4-bromophenyl)methanimine?
The canonical SMILES for N,1-bis(4-bromophenyl)methanimine is Brc1ccc(/C=N/c2ccc(Br)cc2)cc1.
What is the InChIKey of N,1-bis(4-bromophenyl)methanimine?
The InChIKey is XHEOIZWWHIMMFR-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9Br2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+.
What are the key properties of N,1-bis(4-bromophenyl)methanimine?
N,1-bis(4-bromophenyl)methanimine has a molecular weight of 339.03 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-bromophenyl)methanimine is sourced from PubChem (CID 525659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).