1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine

C11H12BrF2N — CID 105005497

IUPAC1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H12BrF2N/c1-6(2)11(15-3)10-8(13)4-7(12)5-9(10)14/h4-5,11,15H,1H2,2-3H3
InChIKeyTUVYKCZYUVNECN-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine

1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105005497) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105005497
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H12BrF2N/c1-6(2)11(15-3)10-8(13)4-7(12)5-9(10)14/h4-5,11,15H,1H2,2-3H3
InChIKeyTUVYKCZYUVNECN-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-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-(4-bromo-2,6-difluorophenyl)-N,3-dimethylbut-2-en-1-amine
CID 105004849
1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107946254
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851692
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797203
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 130594674
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine
CID 105320470

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine (CID 105005497) is 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is TUVYKCZYUVNECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c1-6(2)11(15-3)10-8(13)4-7(12)5-9(10)14/h4-5,11,15H,1H2,2-3H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine?
1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 276.12 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105005497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).