1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine

C14H20FNO — CID 84727528

IUPAC1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1C1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c1-11(16-2)12-5-3-4-6-13(12)14(15)7-9-17-10-8-14/h3-6,11,16H,7-10H2,1-2H3
InChIKeyHRVCKCGHWUUSIL-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds3

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

1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine (PubChem CID 84727528) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine
PubChem CID84727528
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1C1(F)CCOCC1
InChIInChI=1S/C14H20FNO/c1-11(16-2)12-5-3-4-6-13(12)14(15)7-9-17-10-8-14/h3-6,11,16H,7-10H2,1-2H3
InChIKeyHRVCKCGHWUUSIL-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 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 ≤ 52.94
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]-N-methylethanamine?
The IUPAC name of 1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine (CID 84727528) is 1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine is CNC(C)c1ccccc1C1(F)CCOCC1.
What is the InChIKey of 1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine?
The InChIKey is HRVCKCGHWUUSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(16-2)12-5-3-4-6-13(12)14(15)7-9-17-10-8-14/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine?
1-[2-(4-fluorooxan-4-yl)phenyl]-N-methylethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.94, 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)phenyl]-N-methylethanamine is sourced from PubChem (CID 84727528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).