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

C12H15ClFNO2 — CID 113439799

IUPAC3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(F)cc2Cl)C1OC
InChIInChI=1S/C12H15ClFNO2/c1-15-9-6-11(12(9)16-2)17-10-4-3-7(14)5-8(10)13/h3-5,9,11-12,15H,6H2,1-2H3
InChIKeyWDSYYRJSFIOWRJ-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds4

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

3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine (PubChem CID 113439799) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine
PubChem CID113439799
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(F)cc2Cl)C1OC
InChIInChI=1S/C12H15ClFNO2/c1-15-9-6-11(12(9)16-2)17-10-4-3-7(14)5-8(10)13/h3-5,9,11-12,15H,6H2,1-2H3
InChIKeyWDSYYRJSFIOWRJ-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674733
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
2-methoxy-N-methyl-3-phenoxycyclobutan-1-amine
CID 104674319
3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943870
3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol
CID 66346048
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
2-methoxy-N-methyl-3-(2,3,6-trimethylphenoxy)cyclobutan-1-amine
CID 104674620
2-methoxy-3-(5-methoxy-2-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 102703835
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 113439779
2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751211

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine (CID 113439799) is 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine is CNC1CC(Oc2ccc(F)cc2Cl)C1OC.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine?
The InChIKey is WDSYYRJSFIOWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-15-9-6-11(12(9)16-2)17-10-4-3-7(14)5-8(10)13/h3-5,9,11-12,15H,6H2,1-2H3.
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine?
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-methylcyclobutan-1-amine has a molecular weight of 259.71 g/mol, XLogP of 2.23, 4 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-methylcyclobutan-1-amine is sourced from PubChem (CID 113439799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).