(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine

C14H12Br3N — CID 81110281

IUPAC(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H12Br3N/c1-8-2-4-12(16)10(6-8)14(18)11-7-9(15)3-5-13(11)17/h2-7,14H,18H2,1H3
InChIKeyILTKNGWETSCTOA-UHFFFAOYSA-N
MW433.97 g/mol
LogP5.33
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine

(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine (PubChem CID 81110281) has the molecular formula C14H12Br3N and a molecular weight of 433.97 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
PubChem CID81110281
Molecular FormulaC14H12Br3N
Molecular Weight433.97 g/mol
Exact Mass430.85
IUPAC Name(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H12Br3N/c1-8-2-4-12(16)10(6-8)14(18)11-7-9(15)3-5-13(11)17/h2-7,14H,18H2,1H3
InChIKeyILTKNGWETSCTOA-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.97
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 114368823
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151889
(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
CID 81109749
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine
CID 81110402

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine (CID 81110281) is (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine is Cc1ccc(Br)c(C(N)c2cc(Br)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine?
The InChIKey is ILTKNGWETSCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3N/c1-8-2-4-12(16)10(6-8)14(18)11-7-9(15)3-5-13(11)17/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine?
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine has a molecular weight of 433.97 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine is sourced from PubChem (CID 81110281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).