2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine

C16H24FNO2 — CID 107662341

IUPAC2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(C)c2F)C1OCC
InChIInChI=1S/C16H24FNO2/c1-4-9-18-12-10-14(16(12)19-5-2)20-13-8-6-7-11(3)15(13)17/h6-8,12,14,16,18H,4-5,9-10H2,1-3H3
InChIKeyNMQDYRXUUHBYFZ-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.06
Rot. Bonds7

About 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine

2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 107662341) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID107662341
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cccc(C)c2F)C1OCC
InChIInChI=1S/C16H24FNO2/c1-4-9-18-12-10-14(16(12)19-5-2)20-13-8-6-7-11(3)15(13)17/h6-8,12,14,16,18H,4-5,9-10H2,1-3H3
InChIKeyNMQDYRXUUHBYFZ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine (CID 107662341) is 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cccc(C)c2F)C1OCC.
What is the InChIKey of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is NMQDYRXUUHBYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-9-18-12-10-14(16(12)19-5-2)20-13-8-6-7-11(3)15(13)17/h6-8,12,14,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine?
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 107662341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).