3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine

C14H20FNO — CID 84727529

IUPAC3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine
SMILESNCCCc1ccccc1C1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c15-14(7-10-17-11-8-14)13-6-2-1-4-12(13)5-3-9-16/h1-2,4,6H,3,5,7-11,16H2
InChIKeyKIMAMZLDLRATDH-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.55
Rot. Bonds4

About 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine

3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine (PubChem CID 84727529) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine
PubChem CID84727529
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine
SMILESNCCCc1ccccc1C1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c15-14(7-10-17-11-8-14)13-6-2-1-4-12(13)5-3-9-16/h1-2,4,6H,3,5,7-11,16H2
InChIKeyKIMAMZLDLRATDH-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine (CID 84727529) is 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine is NCCCc1ccccc1C1(F)CCOCC1.
What is the InChIKey of 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine?
The InChIKey is KIMAMZLDLRATDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14(7-10-17-11-8-14)13-6-2-1-4-12(13)5-3-9-16/h1-2,4,6H,3,5,7-11,16H2.
What are the key properties of 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine?
3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorooxan-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 84727529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).