2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine

C16H24FNO2 — CID 104676522

IUPAC2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccccc2F)C1OCC
InChIInChI=1S/C16H24FNO2/c1-3-9-18-14-10-15(16(14)19-4-2)20-11-12-7-5-6-8-13(12)17/h5-8,14-16,18H,3-4,9-11H2,1-2H3
InChIKeyHKOBYWIYXJKNQZ-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.89
Rot. Bonds8

About 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine

2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine (PubChem CID 104676522) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
PubChem CID104676522
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccccc2F)C1OCC
InChIInChI=1S/C16H24FNO2/c1-3-9-18-14-10-15(16(14)19-4-2)20-11-12-7-5-6-8-13(12)17/h5-8,14-16,18H,3-4,9-11H2,1-2H3
InChIKeyHKOBYWIYXJKNQZ-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
CID 104676124
3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676666
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
2-ethoxy-3-heptoxy-N-propylcyclobutan-1-amine
CID 104676257
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
CID 107943815
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine?
The IUPAC name of 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine (CID 104676522) is 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine is CCCNC1CC(OCc2ccccc2F)C1OCC.
What is the InChIKey of 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine?
The InChIKey is HKOBYWIYXJKNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-9-18-14-10-15(16(14)19-4-2)20-11-12-7-5-6-8-13(12)17/h5-8,14-16,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine?
2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104676522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).