1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine

C14H17BrFN — CID 115859080

IUPAC1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFN/c1-3-5-6-14(17-9-4-2)12-8-7-11(16)10-13(12)15/h1,7-8,10,14,17H,4-6,9H2,2H3
InChIKeyKOFZYHPWXBAODS-UHFFFAOYSA-N
MW298.20 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine

1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine (PubChem CID 115859080) has the molecular formula C14H17BrFN and a molecular weight of 298.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine
PubChem CID115859080
Molecular FormulaC14H17BrFN
Molecular Weight298.20 g/mol
Exact Mass297.05
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFN/c1-3-5-6-14(17-9-4-2)12-8-7-11(16)10-13(12)15/h1,7-8,10,14,17H,4-6,9H2,2H3
InChIKeyKOFZYHPWXBAODS-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-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-4-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992612
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 114982462
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
1-(2-bromo-4-chlorophenyl)-N-ethylpent-4-yn-1-amine
CID 107993261
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036047
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
1-(5-chloro-2-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 114886581
N-[(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 115796443

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine (CID 115859080) is 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine?
The InChIKey is KOFZYHPWXBAODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN/c1-3-5-6-14(17-9-4-2)12-8-7-11(16)10-13(12)15/h1,7-8,10,14,17H,4-6,9H2,2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine?
1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine has a molecular weight of 298.20 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 115859080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).