1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine

C11H13BrFN — CID 114894862

IUPAC1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFN/c1-3-11(14-4-2)9-7-8(12)5-6-10(9)13/h3,5-7,11,14H,1,4H2,2H3
InChIKeyXFJAUUZIEKAWFX-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.42
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine

1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine (PubChem CID 114894862) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
PubChem CID114894862
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFN/c1-3-11(14-4-2)9-7-8(12)5-6-10(9)13/h3,5-7,11,14H,1,4H2,2H3
InChIKeyXFJAUUZIEKAWFX-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-fluorophenyl)-N-ethylprop-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-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(4-bromo-2,6-difluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000917
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
1-(2-chloro-3-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000748
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 114894898
1-(5-bromo-2-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 114894905
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105167364
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
N-ethyl-1-(2,4,6-trifluorophenyl)prop-2-en-1-amine
CID 105000738
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine (CID 114894862) is 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine is C=CC(NCC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine?
The InChIKey is XFJAUUZIEKAWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-3-11(14-4-2)9-7-8(12)5-6-10(9)13/h3,5-7,11,14H,1,4H2,2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine?
1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 114894862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).