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

C14H20FNO — CID 84727497

IUPAC2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1CC1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c15-14(6-9-17-10-7-14)11-13-4-2-1-3-12(13)5-8-16/h1-4H,5-11,16H2
InChIKeyREDBTZJWNXDWOJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.25
Rot. Bonds4

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

2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine (PubChem CID 84727497) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
PubChem CID84727497
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1CC1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c15-14(6-9-17-10-7-14)11-13-4-2-1-3-12(13)5-8-16/h1-4H,5-11,16H2
InChIKeyREDBTZJWNXDWOJ-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.25
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)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine (CID 84727497) is 2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine is NCCc1ccccc1CC1(F)CCOCC1.
What is the InChIKey of 2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
The InChIKey is REDBTZJWNXDWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14(6-9-17-10-7-14)11-13-4-2-1-3-12(13)5-8-16/h1-4H,5-11,16H2.
What are the key properties of 2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine?
2-[2-[(4-fluorooxan-4-yl)methyl]phenyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.25, 4 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)methyl]phenyl]ethanamine is sourced from PubChem (CID 84727497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).