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

C14H20FNO — CID 84727499

IUPAC1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
SMILESCC(N)c1ccccc1CC1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c1-11(16)13-5-3-2-4-12(13)10-14(15)6-8-17-9-7-14/h2-5,11H,6-10,16H2,1H3
InChIKeyLQTUSVZWLPFEQA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.77
Rot. Bonds3

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

1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine (PubChem CID 84727499) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
PubChem CID84727499
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
SMILESCC(N)c1ccccc1CC1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c1-11(16)13-5-3-2-4-12(13)10-14(15)6-8-17-9-7-14/h2-5,11H,6-10,16H2,1H3
InChIKeyLQTUSVZWLPFEQA-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-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The IUPAC name of 1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine (CID 84727499) is 1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine is CC(N)c1ccccc1CC1(F)CCOCC1.
What is the InChIKey of 1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The InChIKey is LQTUSVZWLPFEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(16)13-5-3-2-4-12(13)10-14(15)6-8-17-9-7-14/h2-5,11H,6-10,16H2,1H3.
What are the key properties of 1-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
1-[2-[(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-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 84727499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).