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

C13H18FNO — CID 11593773

IUPAC[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2ccc(F)cc2)O1
InChIInChI=1S/C13H18FNO/c14-11-4-1-10(2-5-11)3-6-12-7-8-13(9-15)16-12/h1-2,4-5,12-13H,3,6-9,15H2
InChIKeyJPFLICWOZSVVHL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.26
Rot. Bonds4

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

[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine (PubChem CID 11593773) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine
PubChem CID11593773
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2ccc(F)cc2)O1
InChIInChI=1S/C13H18FNO/c14-11-4-1-10(2-5-11)3-6-12-7-8-13(9-15)16-12/h1-2,4-5,12-13H,3,6-9,15H2
InChIKeyJPFLICWOZSVVHL-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine (CID 11593773) is [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine is NCC1CCC(CCc2ccc(F)cc2)O1.
What is the InChIKey of [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine?
The InChIKey is JPFLICWOZSVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-11-4-1-10(2-5-11)3-6-12-7-8-13(9-15)16-12/h1-2,4-5,12-13H,3,6-9,15H2.
What are the key properties of [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine?
[5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)ethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 11593773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).