1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine

C17H25BrFN — CID 107011673

IUPAC1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccc(Br)c(F)c1
InChIInChI=1S/C17H25BrFN/c1-3-5-6-7-8-9-17(20-12-4-2)14-10-11-15(18)16(19)13-14/h3,10-11,13,17,20H,1,4-9,12H2,2H3
InChIKeyOTYAZOVHZJUZKK-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.77
Rot. Bonds10

About 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine

1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine (PubChem CID 107011673) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
PubChem CID107011673
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccc(Br)c(F)c1
InChIInChI=1S/C17H25BrFN/c1-3-5-6-7-8-9-17(20-12-4-2)14-10-11-15(18)16(19)13-14/h3,10-11,13,17,20H,1,4-9,12H2,2H3
InChIKeyOTYAZOVHZJUZKK-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.77
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-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
CID 82801652
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylhex-5-en-1-amine
CID 104986677
1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(4-bromo-3-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 115781989
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
1-(4-bromo-3-fluorophenyl)nonylhydrazine
CID 105294452
1-(4-bromo-3-fluorophenyl)heptylhydrazine
CID 105294043
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine (CID 107011673) is 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine?
The InChIKey is OTYAZOVHZJUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-3-5-6-7-8-9-17(20-12-4-2)14-10-11-15(18)16(19)13-14/h3,10-11,13,17,20H,1,4-9,12H2,2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine?
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine has a molecular weight of 342.30 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107011673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).