2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine

C13H24F3NO2 — CID 106705998

IUPAC2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(COCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO2/c1-18-8-7-17-9-12(5-3-2-4-6-12)10-19-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeySSCFSIQEDPTDLM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds8

About 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine

2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine (PubChem CID 106705998) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine
PubChem CID106705998
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine
SMILESCOCCNCC1(COCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO2/c1-18-8-7-17-9-12(5-3-2-4-6-12)10-19-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeySSCFSIQEDPTDLM-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
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

N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 55106643
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
CID 55106985
N,2-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106988
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
2-ethyl-N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62717837
N-(2-methoxyethyl)-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62718478
N-(2-methoxyethyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62719178
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
CID 62724582
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 62724587

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine (CID 106705998) is 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine is COCCNCC1(COCC(F)(F)F)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is SSCFSIQEDPTDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-18-8-7-17-9-12(5-3-2-4-6-12)10-19-11-13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine?
2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 283.33 g/mol, XLogP of 2.75, 8 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-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 106705998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).