3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine

C14H20FNO2 — CID 107943797

IUPAC3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(F)cc1C
InChIInChI=1S/C14H20FNO2/c1-3-6-17-14-11(16)8-13(14)18-12-5-4-10(15)7-9(12)2/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3
InChIKeyYOUAPEYKTPEPOP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine

3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943797) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943797
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(F)cc1C
InChIInChI=1S/C14H20FNO2/c1-3-6-17-14-11(16)8-13(14)18-12-5-4-10(15)7-9(12)2/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3
InChIKeyYOUAPEYKTPEPOP-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943280
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
3-(2-tert-butyl-4-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943305
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
3-(2-bromo-4-methoxyphenoxy)-2-propoxycyclobutan-1-amine
CID 107943855
3-(2-methyl-5-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943559
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943256
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
3-(4-bromo-2-fluorophenoxy)-2-ethoxycyclobutan-1-amine
CID 113440006
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine (CID 107943797) is 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc(F)cc1C.
What is the InChIKey of 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is YOUAPEYKTPEPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-6-17-14-11(16)8-13(14)18-12-5-4-10(15)7-9(12)2/h4-5,7,11,13-14H,3,6,8,16H2,1-2H3.
What are the key properties of 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine?
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 253.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).