bis(2,4,6-tribromophenyl)methanamine

C13H7Br6N — CID 141289541

IUPACbis(2,4,6-tribromophenyl)methanamine
SMILESNC(c1c(Br)cc(Br)cc1Br)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H7Br6N/c14-5-1-7(16)11(8(17)2-5)13(20)12-9(18)3-6(15)4-10(12)19/h1-4,13H,20H2
InChIKeyWXLKJBBJKYAJRA-UHFFFAOYSA-N
MW656.63 g/mol
LogP7.31
Rot. Bonds2

About bis(2,4,6-tribromophenyl)methanamine

bis(2,4,6-tribromophenyl)methanamine (PubChem CID 141289541) has the molecular formula C13H7Br6N and a molecular weight of 656.63 g/mol. Its IUPAC name is bis(2,4,6-tribromophenyl)methanamine.

Molecular Properties

Compound Namebis(2,4,6-tribromophenyl)methanamine
PubChem CID141289541
Molecular FormulaC13H7Br6N
Molecular Weight656.63 g/mol
Exact Mass650.57
IUPAC Namebis(2,4,6-tribromophenyl)methanamine
SMILESNC(c1c(Br)cc(Br)cc1Br)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C13H7Br6N/c14-5-1-7(16)11(8(17)2-5)13(20)12-9(18)3-6(15)4-10(12)19/h1-4,13H,20H2
InChIKeyWXLKJBBJKYAJRA-UHFFFAOYSA-N
XLogP7.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.63
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-tribromophenyl)methanamine?
The IUPAC name of bis(2,4,6-tribromophenyl)methanamine (CID 141289541) is bis(2,4,6-tribromophenyl)methanamine.
What is the SMILES notation for bis(2,4,6-tribromophenyl)methanamine?
The canonical SMILES for bis(2,4,6-tribromophenyl)methanamine is NC(c1c(Br)cc(Br)cc1Br)c1c(Br)cc(Br)cc1Br.
What is the InChIKey of bis(2,4,6-tribromophenyl)methanamine?
The InChIKey is WXLKJBBJKYAJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br6N/c14-5-1-7(16)11(8(17)2-5)13(20)12-9(18)3-6(15)4-10(12)19/h1-4,13H,20H2.
What are the key properties of bis(2,4,6-tribromophenyl)methanamine?
bis(2,4,6-tribromophenyl)methanamine has a molecular weight of 656.63 g/mol, XLogP of 7.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-tribromophenyl)methanamine is sourced from PubChem (CID 141289541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).