3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine

C15H20FNO2 — CID 63684755

IUPAC3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine
SMILESCCCOCCOCc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C15H20FNO2/c1-2-8-18-9-10-19-12-13-5-6-15(16)14(11-13)4-3-7-17/h5-6,11H,2,7-10,12,17H2,1H3
InChIKeyMRKKJSISJFGRFK-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.08
Rot. Bonds7

About 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine

3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine (PubChem CID 63684755) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine
PubChem CID63684755
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine
SMILESCCCOCCOCc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C15H20FNO2/c1-2-8-18-9-10-19-12-13-5-6-15(16)14(11-13)4-3-7-17/h5-6,11H,2,7-10,12,17H2,1H3
InChIKeyMRKKJSISJFGRFK-UHFFFAOYSA-N
XLogP2.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-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

3-[2-fluoro-5-[[methyl(propyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969274
3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
CID 106455515
3-[2-fluoro-5-(2-methylpentoxymethyl)phenyl]prop-2-yn-1-ol
CID 103284667
3-[2-fluoro-5-(oxolan-3-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 63557876
N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
CID 54968872
3-[2-fluoro-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]prop-2-yn-1-amine
CID 62764872
3-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-methylamino]propanenitrile
CID 54968865
3-[4-(butoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 54970210
4-[5-(2,2-difluoroethoxymethyl)-2-fluorophenyl]but-3-yn-1-ol
CID 82006210
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
CID 107878945
5-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-methylamino]pentan-1-ol
CID 107203671

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine (CID 63684755) is 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine is CCCOCCOCc1ccc(F)c(C#CCN)c1.
What is the InChIKey of 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine?
The InChIKey is MRKKJSISJFGRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-8-18-9-10-19-12-13-5-6-15(16)14(11-13)4-3-7-17/h5-6,11H,2,7-10,12,17H2,1H3.
What are the key properties of 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine?
3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine has a molecular weight of 265.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(2-propoxyethoxymethyl)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 63684755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).