1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine

C14H17F2N — CID 79522889

IUPAC1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N/c1-3-5-9-13(17-10-4-2)14-11(15)7-6-8-12(14)16/h6-8,13,17H,4,9-10H2,1-2H3
InChIKeyDIQAHVVUOGRJSG-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine

1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine (PubChem CID 79522889) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
PubChem CID79522889
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N/c1-3-5-9-13(17-10-4-2)14-11(15)7-6-8-12(14)16/h6-8,13,17H,4,9-10H2,1-2H3
InChIKeyDIQAHVVUOGRJSG-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,6-difluorophenyl)-N-propylpent-3-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

N-propyl-1-(2,4,6-trifluorophenyl)pent-3-yn-1-amine
CID 115819841
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 104806958
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(2,3-difluorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819469
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
CID 115820026
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(3-bromo-2-chlorophenyl)-N-propylpent-3-yn-1-amine
CID 115819947
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine (CID 79522889) is 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine?
The InChIKey is DIQAHVVUOGRJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-3-5-9-13(17-10-4-2)14-11(15)7-6-8-12(14)16/h6-8,13,17H,4,9-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine?
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine has a molecular weight of 237.29 g/mol, XLogP of 3.42, 5 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-propylpent-3-yn-1-amine is sourced from PubChem (CID 79522889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).