1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine

C12H13Br2N3 — CID 114019331

IUPAC1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3/c1-17-5-4-16-12(17)7-11(15)9-3-2-8(13)6-10(9)14/h2-6,11H,7,15H2,1H3
InChIKeyLRVNJVLYFLUWNZ-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 114019331) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID114019331
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2N3/c1-17-5-4-16-12(17)7-11(15)9-3-2-8(13)6-10(9)14/h2-6,11H,7,15H2,1H3
InChIKeyLRVNJVLYFLUWNZ-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
1-(2-bromo-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011679
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
[1-(3,5-dibromo-2-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105268547
2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114530902
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580385

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 114019331) is 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is LRVNJVLYFLUWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-17-5-4-16-12(17)7-11(15)9-3-2-8(13)6-10(9)14/h2-6,11H,7,15H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 359.07 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 114019331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).