N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C13H26F3NO2 — CID 62725424

IUPACN-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C13H26F3NO2/c1-4-5-12(2,10-17-7-9-18-3)6-8-19-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyYAFSEZCPLFBOGQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.00
Rot. Bonds11

About N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 62725424) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID62725424
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C13H26F3NO2/c1-4-5-12(2,10-17-7-9-18-3)6-8-19-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyYAFSEZCPLFBOGQ-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 62725424) is N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CCCC(C)(CCOCC(F)(F)F)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is YAFSEZCPLFBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-4-5-12(2,10-17-7-9-18-3)6-8-19-11-13(14,15)16/h17H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62725424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).