1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine

C12H13F2N — CID 79522247

IUPAC1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1c(F)cccc1F
InChIInChI=1S/C12H13F2N/c1-3-8-15-11(4-2)12-9(13)6-5-7-10(12)14/h2,5-7,11,15H,3,8H2,1H3
InChIKeyPWTFHHRKQMYTIG-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.64
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine

1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine (PubChem CID 79522247) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine
PubChem CID79522247
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1c(F)cccc1F
InChIInChI=1S/C12H13F2N/c1-3-8-15-11(4-2)12-9(13)6-5-7-10(12)14/h2,5-7,11,15H,3,8H2,1H3
InChIKeyPWTFHHRKQMYTIG-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-propylprop-2-yn-1-amine
CID 104995893
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115859755
N-[(2-bromo-6-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 114558957
1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine
CID 104995757
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115859835
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 115859906

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine (CID 79522247) is 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine?
The InChIKey is PWTFHHRKQMYTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c1-3-8-15-11(4-2)12-9(13)6-5-7-10(12)14/h2,5-7,11,15H,3,8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine?
1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine has a molecular weight of 209.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 79522247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).