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

C12H15BrFN — CID 114894774

IUPAC1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN/c1-3-4-5-12(15-2)10-8-9(13)6-7-11(10)14/h3,6-8,12,15H,1,4-5H2,2H3
InChIKeyIGJFLKDWAGJPMG-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.81
Rot. Bonds5

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

1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine (PubChem CID 114894774) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
PubChem CID114894774
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1cc(Br)ccc1F
InChIInChI=1S/C12H15BrFN/c1-3-4-5-12(15-2)10-8-9(13)6-7-11(10)14/h3,6-8,12,15H,1,4-5H2,2H3
InChIKeyIGJFLKDWAGJPMG-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'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987330
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
CID 104987321
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
CID 114201055
1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
CID 105311474
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(3-bromo-2-methylphenyl)-N-methylpent-4-en-1-amine
CID 104987320
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine (CID 114894774) is 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine?
The InChIKey is IGJFLKDWAGJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-3-4-5-12(15-2)10-8-9(13)6-7-11(10)14/h3,6-8,12,15H,1,4-5H2,2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine?
1-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 114894774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).