1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine

C13H18FNO — CID 84725270

IUPAC1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1C1(F)CCOCC1
InChIInChI=1S/C13H18FNO/c1-10(15)11-4-2-3-5-12(11)13(14)6-8-16-9-7-13/h2-5,10H,6-9,15H2,1H3
InChIKeyUCUKDZVHLUKQKI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.68
Rot. Bonds2

About 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine

1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine (PubChem CID 84725270) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine
PubChem CID84725270
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1C1(F)CCOCC1
InChIInChI=1S/C13H18FNO/c1-10(15)11-4-2-3-5-12(11)13(14)6-8-16-9-7-13/h2-5,10H,6-9,15H2,1H3
InChIKeyUCUKDZVHLUKQKI-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine (CID 84725270) is 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine is CC(N)c1ccccc1C1(F)CCOCC1.
What is the InChIKey of 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
The InChIKey is UCUKDZVHLUKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(15)11-4-2-3-5-12(11)13(14)6-8-16-9-7-13/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine?
1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorooxan-4-yl)phenyl]ethanamine is sourced from PubChem (CID 84725270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).