2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine

C12H22F3NO2 — CID 65196621

IUPAC2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO2/c1-17-8-6-16-9-11(3-2-4-11)5-7-18-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyLDWFKBTXWKSYRI-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds9

About 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine

2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine (PubChem CID 65196621) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
PubChem CID65196621
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
SMILESCOCCNCC1(CCOCC(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO2/c1-17-8-6-16-9-11(3-2-4-11)5-7-18-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyLDWFKBTXWKSYRI-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114125181
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 113474207
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine (CID 65196621) is 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine is COCCNCC1(CCOCC(F)(F)F)CCC1.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine?
The InChIKey is LDWFKBTXWKSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-17-8-6-16-9-11(3-2-4-11)5-7-18-10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine has a molecular weight of 269.31 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65196621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).