1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine

C13H19BrFN — CID 114982462

IUPAC1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-3-5-13(16-8-4-2)11-9-10(15)6-7-12(11)14/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyXQYOOFSPFPHZCB-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.43
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine

1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine (PubChem CID 114982462) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
PubChem CID114982462
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFN/c1-3-5-13(16-8-4-2)11-9-10(15)6-7-12(11)14/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyXQYOOFSPFPHZCB-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-fluorophenyl)-N-propylbutan-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-propylbut-3-en-1-amine
CID 115815047
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713
N-[1-(2-bromo-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63529110
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
1-(2-bromo-4-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992612
1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine
CID 115859080
N-[1-(2-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025657
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
N-[1-(2-bromo-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104997928
1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
N-[1-(2-bromo-5-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105002224

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine (CID 114982462) is 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine is CCCNC(CCC)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine?
The InChIKey is XQYOOFSPFPHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-5-13(16-8-4-2)11-9-10(15)6-7-12(11)14/h6-7,9,13,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine?
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.43, 6 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-propylbutan-1-amine is sourced from PubChem (CID 114982462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).