1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine

C12H15BrFN — CID 104987122

IUPAC1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cccc(F)c1Br
InChIInChI=1S/C12H15BrFN/c1-2-3-4-8-11(15)9-6-5-7-10(14)12(9)13/h2,5-7,11H,1,3-4,8,15H2
InChIKeyOCIGCXHWUNDAIS-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine

1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine (PubChem CID 104987122) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
PubChem CID104987122
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cccc(F)c1Br
InChIInChI=1S/C12H15BrFN/c1-2-3-4-8-11(15)9-6-5-7-10(14)12(9)13/h2,5-7,11H,1,3-4,8,15H2
InChIKeyOCIGCXHWUNDAIS-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
1-(2-bromo-3-fluorophenyl)nonan-1-amine
CID 115835760
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
1-(2,6-difluorophenyl)hept-6-en-2-amine
CID 104986671
(1S)-1-[3-fluoro-2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171231044
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
1-(2-bromo-3-fluorophenyl)but-3-yn-1-amine
CID 114977875
1-(2-bromo-4-methylphenyl)hex-5-en-1-amine
CID 104987112
1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine
CID 105028423

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine (CID 104987122) is 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine is C=CCCCC(N)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine?
The InChIKey is OCIGCXHWUNDAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-2-3-4-8-11(15)9-6-5-7-10(14)12(9)13/h2,5-7,11H,1,3-4,8,15H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine?
1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine is sourced from PubChem (CID 104987122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).