1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine

C11H13Br2N — CID 107946251

IUPAC1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2N/c1-7(2)5-11(14)9-4-3-8(12)6-10(9)13/h3-6,11H,14H2,1-2H3
InChIKeyQMMIRMGRCVMZJO-UHFFFAOYSA-N
MW319.04 g/mol
LogP4.18
Rot. Bonds2

About 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine

1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine (PubChem CID 107946251) has the molecular formula C11H13Br2N and a molecular weight of 319.04 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine
PubChem CID107946251
Molecular FormulaC11H13Br2N
Molecular Weight319.04 g/mol
Exact Mass316.94
IUPAC Name1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2N/c1-7(2)5-11(14)9-4-3-8(12)6-10(9)13/h3-6,11H,14H2,1-2H3
InChIKeyQMMIRMGRCVMZJO-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine 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-(2-bromo-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 105004922
1-(2-bromo-4-fluorophenyl)-3-methylbut-2-en-1-amine
CID 105004892
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
1-(3,5-dibromophenyl)-3-methylbut-2-en-1-amine
CID 107976193
1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol
CID 107947627
1-(4-bromo-2-fluorophenyl)-3-methylbut-2-en-1-ol
CID 79190789
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-amine
CID 105004541
1-(2,4-dibromophenyl)-2-methylbutan-1-amine
CID 107946440
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
1-(5-chloro-2-fluorophenyl)-3-methylbut-2-en-1-amine
CID 114885927
(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
CID 107946337

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine (CID 107946251) is 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine is CC(C)=CC(N)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine?
The InChIKey is QMMIRMGRCVMZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N/c1-7(2)5-11(14)9-4-3-8(12)6-10(9)13/h3-6,11H,14H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine?
1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine has a molecular weight of 319.04 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 107946251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).