1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine

C14H12Br2IN — CID 43482225

IUPAC1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2IN/c1-18-14(9-2-5-11(17)6-3-9)12-8-10(15)4-7-13(12)16/h2-8,14,18H,1H3
InChIKeyZFZWFNPXLKTCAQ-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.12
Rot. Bonds3

About 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine

1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine (PubChem CID 43482225) has the molecular formula C14H12Br2IN and a molecular weight of 480.97 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine
PubChem CID43482225
Molecular FormulaC14H12Br2IN
Molecular Weight480.97 g/mol
Exact Mass478.84
IUPAC Name1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2IN/c1-18-14(9-2-5-11(17)6-3-9)12-8-10(15)4-7-13(12)16/h2-8,14,18H,1H3
InChIKeyZFZWFNPXLKTCAQ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.97
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43485032
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43486228
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114032647
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2-bromo-5-iodophenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 114027094
1-(2,5-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200884
1-(2,4-dibromophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 107945033
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine (CID 43482225) is 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine is CNC(c1ccc(I)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The InChIKey is ZFZWFNPXLKTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2IN/c1-18-14(9-2-5-11(17)6-3-9)12-8-10(15)4-7-13(12)16/h2-8,14,18H,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine?
1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine has a molecular weight of 480.97 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43482225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).