N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine

C13H16FN — CID 115664214

IUPACN-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h1,6-11,15H,5H2,2-3H3
InChIKeyIOBJXFIJQNUVST-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.89
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine

N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine (PubChem CID 115664214) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine
PubChem CID115664214
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h1,6-11,15H,5H2,2-3H3
InChIKeyIOBJXFIJQNUVST-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-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-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725240
N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
CID 103520522
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819
[4-[1-(pent-4-yn-2-ylamino)ethyl]phenyl]urea
CID 115725242
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
N-[1-(3,5-difluorophenyl)ethyl]hex-5-yn-3-amine
CID 113262094
N-[1-(4-imidazol-1-ylphenyl)ethyl]pent-4-yn-2-amine
CID 115725305
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725202
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine (CID 115664214) is N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine is C#CCC(C)NC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine?
The InChIKey is IOBJXFIJQNUVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-4-5-10(2)15-11(3)12-6-8-13(14)9-7-12/h1,6-11,15H,5H2,2-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine?
N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine has a molecular weight of 205.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine is sourced from PubChem (CID 115664214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).