N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine

C16H24FNO2 — CID 107943730

IUPACN-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cc(C)ccc1F
InChIInChI=1S/C16H24FNO2/c1-4-8-19-16-13(18-5-2)10-15(16)20-14-9-11(3)6-7-12(14)17/h6-7,9,13,15-16,18H,4-5,8,10H2,1-3H3
InChIKeyOOAARHCEPGENDI-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.06
Rot. Bonds7

About N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine

N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943730) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943730
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(NCC)CC1Oc1cc(C)ccc1F
InChIInChI=1S/C16H24FNO2/c1-4-8-19-16-13(18-5-2)10-15(16)20-14-9-11(3)6-7-12(14)17/h6-7,9,13,15-16,18H,4-5,8,10H2,1-3H3
InChIKeyOOAARHCEPGENDI-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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Related Compounds

3-(5-bromo-2-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943889
N-ethyl-3-(2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943243
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943234
N-methyl-3-(5-methyl-2-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943203
N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 66351826
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 113439779
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943730) is N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(NCC)CC1Oc1cc(C)ccc1F.
What is the InChIKey of N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is OOAARHCEPGENDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-8-19-16-13(18-5-2)10-15(16)20-14-9-11(3)6-7-12(14)17/h6-7,9,13,15-16,18H,4-5,8,10H2,1-3H3.
What are the key properties of N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine?
N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-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 N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).