1-(3,5-dibromophenyl)but-3-en-1-amine

C10H11Br2N — CID 103693293

IUPAC1-(3,5-dibromophenyl)but-3-en-1-amine
SMILESC=CCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H11Br2N/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h2,4-6,10H,1,3,13H2
InChIKeyXIAZQLFTUQWNEN-UHFFFAOYSA-N
MW305.01 g/mol
LogP3.79
Rot. Bonds3

About 1-(3,5-dibromophenyl)but-3-en-1-amine

1-(3,5-dibromophenyl)but-3-en-1-amine (PubChem CID 103693293) has the molecular formula C10H11Br2N and a molecular weight of 305.01 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)but-3-en-1-amine
PubChem CID103693293
Molecular FormulaC10H11Br2N
Molecular Weight305.01 g/mol
Exact Mass302.93
IUPAC Name1-(3,5-dibromophenyl)but-3-en-1-amine
SMILESC=CCC(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H11Br2N/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h2,4-6,10H,1,3,13H2
InChIKeyXIAZQLFTUQWNEN-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.01
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,5-dibromophenyl)but-3-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

(1S)-1-(3-bromo-5-fluorophenyl)but-3-en-1-amine
CID 131051848
(1S)-1-(3-bromophenyl)but-3-en-1-amine
CID 50999165
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(1S)-1-(3,4-dibromophenyl)but-3-en-1-amine
CID 130682495
1-(3,5-dibromophenyl)but-3-enylhydrazine
CID 107978932
(1S)-1-(3,5-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171222077
4-[(1R)-1-aminobut-3-enyl]-2,6-dichloroaniline
CID 131172310
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
(1R)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171233543
1-(3,5-dibromophenyl)ethane-1,2-diamine;dihydrochloride
CID 138109776
5-(1-aminobut-3-enyl)-2-bromophenol
CID 130043206
1-(3-bromo-4-methylphenyl)but-3-en-1-amine
CID 112693680

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)but-3-en-1-amine?
The IUPAC name of 1-(3,5-dibromophenyl)but-3-en-1-amine (CID 103693293) is 1-(3,5-dibromophenyl)but-3-en-1-amine.
What is the SMILES notation for 1-(3,5-dibromophenyl)but-3-en-1-amine?
The canonical SMILES for 1-(3,5-dibromophenyl)but-3-en-1-amine is C=CCC(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)but-3-en-1-amine?
The InChIKey is XIAZQLFTUQWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h2,4-6,10H,1,3,13H2.
What are the key properties of 1-(3,5-dibromophenyl)but-3-en-1-amine?
1-(3,5-dibromophenyl)but-3-en-1-amine has a molecular weight of 305.01 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)but-3-en-1-amine is sourced from PubChem (CID 103693293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).