2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine

C16H24FNO2 — CID 25258809

IUPAC2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
SMILESCNCCC1CCC(CCc2cc(F)ccc2OC)O1
InChIInChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3
InChIKeyNTTIJAHCUAQKMW-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.92
Rot. Bonds7

About 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine

2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine (PubChem CID 25258809) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
PubChem CID25258809
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
SMILESCNCCC1CCC(CCc2cc(F)ccc2OC)O1
InChIInChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3
InChIKeyNTTIJAHCUAQKMW-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine (CID 25258809) is 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine is CNCCC1CCC(CCc2cc(F)ccc2OC)O1.
What is the InChIKey of 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine?
The InChIKey is NTTIJAHCUAQKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-18-10-9-15-7-6-14(20-15)5-3-12-11-13(17)4-8-16(12)19-2/h4,8,11,14-15,18H,3,5-7,9-10H2,1-2H3.
What are the key properties of 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine?
2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine has a molecular weight of 281.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine is sourced from PubChem (CID 25258809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).