3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine

C13H18FNO2 — CID 54565080

IUPAC3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine
SMILESNCCCOC1CCC(c2ccc(F)cc2)O1
InChIInChI=1S/C13H18FNO2/c14-11-4-2-10(3-5-11)12-6-7-13(17-12)16-9-1-8-15/h2-5,12-13H,1,6-9,15H2
InChIKeyZTGADCBBOYYSJC-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.37
Rot. Bonds5

About 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine

3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine (PubChem CID 54565080) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine
PubChem CID54565080
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine
SMILESNCCCOC1CCC(c2ccc(F)cc2)O1
InChIInChI=1S/C13H18FNO2/c14-11-4-2-10(3-5-11)12-6-7-13(17-12)16-9-1-8-15/h2-5,12-13H,1,6-9,15H2
InChIKeyZTGADCBBOYYSJC-UHFFFAOYSA-N
XLogP2.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine?
The IUPAC name of 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine (CID 54565080) is 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine?
The canonical SMILES for 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine is NCCCOC1CCC(c2ccc(F)cc2)O1.
What is the InChIKey of 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine?
The InChIKey is ZTGADCBBOYYSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-4-2-10(3-5-11)12-6-7-13(17-12)16-9-1-8-15/h2-5,12-13H,1,6-9,15H2.
What are the key properties of 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine?
3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropan-1-amine is sourced from PubChem (CID 54565080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).