1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine

C15H20FNO — CID 107701484

IUPAC1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
SMILESC#CCCCOc1ccc(F)cc1CC(N)CC
InChIInChI=1S/C15H20FNO/c1-3-5-6-9-18-15-8-7-13(16)10-12(15)11-14(17)4-2/h1,7-8,10,14H,4-6,9,11,17H2,2H3
InChIKeyOLDQVZQALLIQMB-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.90
Rot. Bonds7

About 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine

1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine (PubChem CID 107701484) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
PubChem CID107701484
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
SMILESC#CCCCOc1ccc(F)cc1CC(N)CC
InChIInChI=1S/C15H20FNO/c1-3-5-6-9-18-15-8-7-13(16)10-12(15)11-14(17)4-2/h1,7-8,10,14H,4-6,9,11,17H2,2H3
InChIKeyOLDQVZQALLIQMB-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 107701306
1-(5-fluoro-2-pent-3-ynoxyphenyl)propan-2-amine
CID 107700673

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine?
The IUPAC name of 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine (CID 107701484) is 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine is C#CCCCOc1ccc(F)cc1CC(N)CC.
What is the InChIKey of 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine?
The InChIKey is OLDQVZQALLIQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-3-5-6-9-18-15-8-7-13(16)10-12(15)11-14(17)4-2/h1,7-8,10,14H,4-6,9,11,17H2,2H3.
What are the key properties of 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine?
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine has a molecular weight of 249.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine is sourced from PubChem (CID 107701484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).