1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine

C13H17Br2N — CID 107945979

IUPAC1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2N/c1-3-5-6-13(16-4-2)11-8-7-10(14)9-12(11)15/h3,7-9,13,16H,1,4-6H2,2H3
InChIKeyXYPJGLTZVBKVJP-UHFFFAOYSA-N
MW347.09 g/mol
LogP4.83
Rot. Bonds6

About 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine

1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine (PubChem CID 107945979) has the molecular formula C13H17Br2N and a molecular weight of 347.09 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
PubChem CID107945979
Molecular FormulaC13H17Br2N
Molecular Weight347.09 g/mol
Exact Mass344.97
IUPAC Name1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2N/c1-3-5-6-13(16-4-2)11-8-7-10(14)9-12(11)15/h3,7-9,13,16H,1,4-6H2,2H3
InChIKeyXYPJGLTZVBKVJP-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 54.83
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)-N-ethylpent-4-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-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(3,5-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107975611
1-(2,4-dibromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 107946545
1-(2-bromo-3,4-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 107539190
1-(2-bromo-4-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 115814229
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
CID 81276354
1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine
CID 105311522
1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987248
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
CID 106792394

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine (CID 107945979) is 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine is C=CCCC(NCC)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine?
The InChIKey is XYPJGLTZVBKVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N/c1-3-5-6-13(16-4-2)11-8-7-10(14)9-12(11)15/h3,7-9,13,16H,1,4-6H2,2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine?
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine has a molecular weight of 347.09 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 107945979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).