1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine

C11H13BrClN — CID 105005489

IUPAC1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClN/c1-7(2)11(14-3)8-5-4-6-9(12)10(8)13/h4-6,11,14H,1H2,2-3H3
InChIKeyCJAAEURPMORLCW-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.94
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine

1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105005489) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105005489
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1cccc(Br)c1Cl
InChIInChI=1S/C11H13BrClN/c1-7(2)11(14-3)8-5-4-6-9(12)10(8)13/h4-6,11,14H,1H2,2-3H3
InChIKeyCJAAEURPMORLCW-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2-chlorophenyl)-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-(3-bromo-2-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005146
1-(3-bromo-2-chlorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005563
1-(2-bromo-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 107985164
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
CID 105008942
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811933
1-(3-bromo-2-chlorophenyl)-N-methylpent-3-yn-1-amine
CID 115819876
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
1-(5-chloro-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005229
1-(3-bromo-5-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107946254

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine (CID 105005489) is 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is CJAAEURPMORLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-7(2)11(14-3)8-5-4-6-9(12)10(8)13/h4-6,11,14H,1H2,2-3H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine?
1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105005489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).