3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine

C14H19ClFNO2 — CID 104674733

IUPAC3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(F)cc2Cl)C1OC
InChIInChI=1S/C14H19ClFNO2/c1-3-6-17-11-8-13(14(11)18-2)19-12-5-4-9(16)7-10(12)15/h4-5,7,11,13-14,17H,3,6,8H2,1-2H3
InChIKeyJURBPFMRAYQXFI-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.01
Rot. Bonds6

About 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine

3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 104674733) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID104674733
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(F)cc2Cl)C1OC
InChIInChI=1S/C14H19ClFNO2/c1-3-6-17-11-8-13(14(11)18-2)19-12-5-4-9(16)7-10(12)15/h4-5,7,11,13-14,17H,3,6,8H2,1-2H3
InChIKeyJURBPFMRAYQXFI-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine
CID 113439799
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674643
3-(2-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66351321
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676536
3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 113439779
3-(2-bromo-5-nitrophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 103013202
3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104675018
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine (CID 104674733) is 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(F)cc2Cl)C1OC.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is JURBPFMRAYQXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-3-6-17-11-8-13(14(11)18-2)19-12-5-4-9(16)7-10(12)15/h4-5,7,11,13-14,17H,3,6,8H2,1-2H3.
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine?
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 287.76 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).