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

Analyze bis(2,4,6-tribromophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene
CID 139670276
3,5-dibromo-2-[(1S)-1,2-diaminoethyl]phenol;hydrochloride
CID 171256229
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-3,5-dibromophenol;hydrochloride
CID 171252875
(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
CID 130774352
methyl (2S)-2-amino-2-(2,4-dibromo-6-hydroxyphenyl)acetate;hydrochloride
CID 171256212
(3,5-dibromophenyl)methanediamine
CID 141415673
2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-dibromoaniline
CID 131035663
1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
CID 65439503
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
2,3,5-tribromobenzenesulfonamide
CID 119009314
ethyl (3R)-3-amino-3-(2,4-dibromo-6-hydroxyphenyl)-2-fluoropropanoate
CID 171252900
1-(3,5-dibromophenyl)ethanamine
CID 23147757

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).