2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine

C13H18FNO — CID 84725268

IUPAC2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine
SMILESNCCc1ccccc1C1(F)CCOCC1
InChIInChI=1S/C13H18FNO/c14-13(6-9-16-10-7-13)12-4-2-1-3-11(12)5-8-15/h1-4H,5-10,15H2
InChIKeyXVRJVHXFABBHQD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine

2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine (PubChem CID 84725268) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine
PubChem CID84725268
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine
SMILESNCCc1ccccc1C1(F)CCOCC1
InChIInChI=1S/C13H18FNO/c14-13(6-9-16-10-7-13)12-4-2-1-3-11(12)5-8-15/h1-4H,5-10,15H2
InChIKeyXVRJVHXFABBHQD-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine (CID 84725268) is 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine is NCCc1ccccc1C1(F)CCOCC1.
What is the InChIKey of 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
The InChIKey is XVRJVHXFABBHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-13(6-9-16-10-7-13)12-4-2-1-3-11(12)5-8-15/h1-4H,5-10,15H2.
What are the key properties of 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorooxan-4-yl)phenyl]ethanamine is sourced from PubChem (CID 84725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).