1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine

C13H15BrFN — CID 66425049

IUPAC1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN/c1-3-5-6-13(16-4-2)10-7-11(14)9-12(15)8-10/h7-9,13,16H,4,6H2,1-2H3
InChIKeyXRABJGGOQJMWFJ-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine

1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine (PubChem CID 66425049) has the molecular formula C13H15BrFN and a molecular weight of 284.17 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine
PubChem CID66425049
Molecular FormulaC13H15BrFN
Molecular Weight284.17 g/mol
Exact Mass283.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN/c1-3-5-6-13(16-4-2)10-7-11(14)9-12(15)8-10/h7-9,13,16H,4,6H2,1-2H3
InChIKeyXRABJGGOQJMWFJ-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-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-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 66423655
1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
1-(3,5-dibromophenyl)-N-ethylbut-3-yn-1-amine
CID 107973342
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 66426048
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526719
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 66425447
1-(3-bromo-5-methylphenyl)-N-ethylhex-4-yn-1-amine
CID 105037089
N-ethyl-1-(3,4,5-trimethoxyphenyl)pent-3-yn-1-amine
CID 115819415
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 66424651
N-ethyl-1-(5-methylfuran-3-yl)pent-3-yn-1-amine
CID 115819808
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine (CID 66425049) is 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine is CC#CCC(NCC)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine?
The InChIKey is XRABJGGOQJMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN/c1-3-5-6-13(16-4-2)10-7-11(14)9-12(15)8-10/h7-9,13,16H,4,6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine?
1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine has a molecular weight of 284.17 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-ethylpent-3-yn-1-amine is sourced from PubChem (CID 66425049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).