3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine

C14H18FNO2 — CID 65181168

IUPAC3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
SMILESCCOCCCOc1ccc(F)cc1C#CCN
InChIInChI=1S/C14H18FNO2/c1-2-17-9-4-10-18-14-7-6-13(15)11-12(14)5-3-8-16/h6-7,11H,2,4,8-10,16H2,1H3
InChIKeyZBQSZZSLUTUOPY-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.94
Rot. Bonds6

About 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine

3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine (PubChem CID 65181168) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
PubChem CID65181168
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine
SMILESCCOCCCOc1ccc(F)cc1C#CCN
InChIInChI=1S/C14H18FNO2/c1-2-17-9-4-10-18-14-7-6-13(15)11-12(14)5-3-8-16/h6-7,11H,2,4,8-10,16H2,1H3
InChIKeyZBQSZZSLUTUOPY-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.94
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'}

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Related Compounds

3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
CID 106455515
3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-yn-1-ol
CID 103411388
2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
3-[5-fluoro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493810
3-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801672
3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 60801675
3-[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 61482091
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzenesulfonamide
CID 60846049
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzamide
CID 60822238
[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
3-(2-heptoxy-5-methylphenyl)prop-2-yn-1-amine
CID 60801193
4-[2-(3-ethoxypropoxy)-5-methylphenyl]but-3-yn-1-ol
CID 65180661

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine (CID 65181168) is 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine is CCOCCCOc1ccc(F)cc1C#CCN.
What is the InChIKey of 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is ZBQSZZSLUTUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-17-9-4-10-18-14-7-6-13(15)11-12(14)5-3-8-16/h6-7,11H,2,4,8-10,16H2,1H3.
What are the key properties of 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine?
3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethoxypropoxy)-5-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 65181168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).