1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine

C14H17F2N — CID 64561596

IUPAC1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine
SMILESC#CCC(Cc1ccc(F)cc1F)NCCC
InChIInChI=1S/C14H17F2N/c1-3-5-13(17-8-4-2)9-11-6-7-12(15)10-14(11)16/h1,6-7,10,13,17H,4-5,8-9H2,2H3
InChIKeyBRNPMBCLOIJOQB-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.90
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine

1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine (PubChem CID 64561596) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine
PubChem CID64561596
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine
SMILESC#CCC(Cc1ccc(F)cc1F)NCCC
InChIInChI=1S/C14H17F2N/c1-3-5-13(17-8-4-2)9-11-6-7-12(15)10-14(11)16/h1,6-7,10,13,17H,4-5,8-9H2,2H3
InChIKeyBRNPMBCLOIJOQB-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.90
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-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793
1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025007
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63033879
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360793
1-(2,4-difluorophenyl)butan-2-ylhydrazine
CID 105201098
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105117344

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine (CID 64561596) is 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine is C#CCC(Cc1ccc(F)cc1F)NCCC.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine?
The InChIKey is BRNPMBCLOIJOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-3-5-13(17-8-4-2)9-11-6-7-12(15)10-14(11)16/h1,6-7,10,13,17H,4-5,8-9H2,2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine?
1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine has a molecular weight of 237.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-propylpent-4-yn-2-amine is sourced from PubChem (CID 64561596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).