1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine

C12H15BrFN — CID 104987330

IUPAC1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFN/c1-3-4-5-12(15-2)10-8-9(14)6-7-11(10)13/h3,6-8,12,15H,1,4-5H2,2H3
InChIKeyJOQCFWVQCBCKMB-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine

1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine (PubChem CID 104987330) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
PubChem CID104987330
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFN/c1-3-4-5-12(15-2)10-8-9(14)6-7-11(10)13/h3,6-8,12,15H,1,4-5H2,2H3
InChIKeyJOQCFWVQCBCKMB-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-5-fluorophenyl)-N-methylpent-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-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol
CID 115804823
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
1-(2-bromo-5-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003885
1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 105033728
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
1-(2-bromo-5-fluorophenyl)-N-propylbut-3-en-1-amine
CID 115815047
1-(4-bromo-3-chlorophenyl)-N-methylpent-4-en-1-amine
CID 104987729
1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
CID 104987321
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 114982462
1-(3-bromothiophen-2-yl)-N-methylpent-4-en-1-amine
CID 104987232

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine (CID 104987330) is 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine?
The InChIKey is JOQCFWVQCBCKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-3-4-5-12(15-2)10-8-9(14)6-7-11(10)13/h3,6-8,12,15H,1,4-5H2,2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine?
1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 104987330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).