1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine

C13H15BrFN — CID 105033728

IUPAC1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFN/c1-3-4-5-6-13(16-2)11-9-10(15)7-8-12(11)14/h1,7-9,13,16H,4-6H2,2H3
InChIKeyAVONAUCZJFDMQS-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine

1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine (PubChem CID 105033728) has the molecular formula C13H15BrFN and a molecular weight of 284.17 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine
PubChem CID105033728
Molecular FormulaC13H15BrFN
Molecular Weight284.17 g/mol
Exact Mass283.04
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine
SMILESC#CCCCC(NC)c1cc(F)ccc1Br
InChIInChI=1S/C13H15BrFN/c1-3-4-5-6-13(16-2)11-9-10(15)7-8-12(11)14/h1,7-9,13,16H,4-6H2,2H3
InChIKeyAVONAUCZJFDMQS-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811
1-(2,5-dibromophenyl)-N-methylpent-4-yn-1-amine
CID 115859658
1-(2-bromo-5-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987330
1-(4-bromo-2-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105033715
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449
1-(2-bromo-5-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003885
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 115832928
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(2-bromo-5-fluorophenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161092
[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105342587
1-(4-chloro-3-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 107995061

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine (CID 105033728) is 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine is C#CCCCC(NC)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine?
The InChIKey is AVONAUCZJFDMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN/c1-3-4-5-6-13(16-2)11-9-10(15)7-8-12(11)14/h1,7-9,13,16H,4-6H2,2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine?
1-(2-bromo-5-fluorophenyl)-N-methylhex-5-yn-1-amine has a molecular weight of 284.17 g/mol, XLogP of 3.65, 5 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-methylhex-5-yn-1-amine is sourced from PubChem (CID 105033728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).