1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine

C14H20FNO — CID 84727496

IUPAC1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
SMILESCC(N)c1cccc(CC2(F)CCOCC2)c1
InChIInChI=1S/C14H20FNO/c1-11(16)13-4-2-3-12(9-13)10-14(15)5-7-17-8-6-14/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyCSQKCGYTBKKKLL-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.77
Rot. Bonds3

About 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine

1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine (PubChem CID 84727496) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
PubChem CID84727496
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
SMILESCC(N)c1cccc(CC2(F)CCOCC2)c1
InChIInChI=1S/C14H20FNO/c1-11(16)13-4-2-3-12(9-13)10-14(15)5-7-17-8-6-14/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyCSQKCGYTBKKKLL-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The IUPAC name of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine (CID 84727496) is 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine is CC(N)c1cccc(CC2(F)CCOCC2)c1.
What is the InChIKey of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The InChIKey is CSQKCGYTBKKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(16)13-4-2-3-12(9-13)10-14(15)5-7-17-8-6-14/h2-4,9,11H,5-8,10,16H2,1H3.
What are the key properties of 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 84727496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).