2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine

C14H20FNO — CID 11499649

IUPAC2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine
SMILESNCCC1CCC(CCc2ccc(F)cc2)O1
InChIInChI=1S/C14H20FNO/c15-12-4-1-11(2-5-12)3-6-13-7-8-14(17-13)9-10-16/h1-2,4-5,13-14H,3,6-10,16H2
InChIKeyHSTGLADRQKCBLZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.65
Rot. Bonds5

About 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine

2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine (PubChem CID 11499649) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine
PubChem CID11499649
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine
SMILESNCCC1CCC(CCc2ccc(F)cc2)O1
InChIInChI=1S/C14H20FNO/c15-12-4-1-11(2-5-12)3-6-13-7-8-14(17-13)9-10-16/h1-2,4-5,13-14H,3,6-10,16H2
InChIKeyHSTGLADRQKCBLZ-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine (CID 11499649) is 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine is NCCC1CCC(CCc2ccc(F)cc2)O1.
What is the InChIKey of 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine?
The InChIKey is HSTGLADRQKCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-12-4-1-11(2-5-12)3-6-13-7-8-14(17-13)9-10-16/h1-2,4-5,13-14H,3,6-10,16H2.
What are the key properties of 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine?
2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]ethanamine is sourced from PubChem (CID 11499649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).