1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine

C15H21BrFN — CID 82801652

IUPAC1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c1-3-5-6-7-15(18-10-4-2)12-8-9-14(17)13(16)11-12/h3,8-9,11,15,18H,1,4-7,10H2,2H3
InChIKeyZJQFXOKYSYZTLA-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.99
Rot. Bonds8

About 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine

1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine (PubChem CID 82801652) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
PubChem CID82801652
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c1-3-5-6-7-15(18-10-4-2)12-8-9-14(17)13(16)11-12/h3,8-9,11,15,18H,1,4-7,10H2,2H3
InChIKeyZJQFXOKYSYZTLA-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.99
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'}

Analyze 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-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-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylhex-5-en-1-amine
CID 104986677
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
CID 79747612
1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(3-bromo-4-fluorophenyl)pent-4-enylhydrazine
CID 105264095
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
1-(3,4-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107008859
N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 79747525
1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
CID 104986700
1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
CID 79746685

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine (CID 82801652) is 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine?
The InChIKey is ZJQFXOKYSYZTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-3-5-6-7-15(18-10-4-2)12-8-9-14(17)13(16)11-12/h3,8-9,11,15,18H,1,4-7,10H2,2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine?
1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 82801652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).