dibromomethane;methanamine;toluene

C17H28Br2N2 — CID 160612564

IUPACdibromomethane;methanamine;toluene
SMILESBrCBr.CN.CN.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/2C7H8.CH2Br2.2CH5N/c2*1-7-5-3-2-4-6-7;2-1-3;2*1-2/h2*2-6H,1H3;1H2;2*2H2,1H3
InChIKeyRFRFSJMTIZPKHN-UHFFFAOYSA-N
MW420.23 g/mol
LogP4.87
Rot. Bonds

About dibromomethane;methanamine;toluene

dibromomethane;methanamine;toluene (PubChem CID 160612564) has the molecular formula C17H28Br2N2 and a molecular weight of 420.23 g/mol. Its IUPAC name is dibromomethane;methanamine;toluene.

Molecular Properties

Compound Namedibromomethane;methanamine;toluene
PubChem CID160612564
Molecular FormulaC17H28Br2N2
Molecular Weight420.23 g/mol
Exact Mass418.06
IUPAC Namedibromomethane;methanamine;toluene
SMILESBrCBr.CN.CN.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/2C7H8.CH2Br2.2CH5N/c2*1-7-5-3-2-4-6-7;2-1-3;2*1-2/h2*2-6H,1H3;1H2;2*2H2,1H3
InChIKeyRFRFSJMTIZPKHN-UHFFFAOYSA-N
XLogP4.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.23
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dibromomethane;methanamine;toluene?
The IUPAC name of dibromomethane;methanamine;toluene (CID 160612564) is dibromomethane;methanamine;toluene.
What is the SMILES notation for dibromomethane;methanamine;toluene?
The canonical SMILES for dibromomethane;methanamine;toluene is BrCBr.CN.CN.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of dibromomethane;methanamine;toluene?
The InChIKey is RFRFSJMTIZPKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.CH2Br2.2CH5N/c2*1-7-5-3-2-4-6-7;2-1-3;2*1-2/h2*2-6H,1H3;1H2;2*2H2,1H3.
What are the key properties of dibromomethane;methanamine;toluene?
dibromomethane;methanamine;toluene has a molecular weight of 420.23 g/mol, XLogP of 4.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibromomethane;methanamine;toluene is sourced from PubChem (CID 160612564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).