N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C13H26F3NO2 — CID 62717999

IUPACN-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCOCCNCC(CCOCC(F)(F)F)CC(C)C
InChIInChI=1S/C13H26F3NO2/c1-11(2)8-12(9-17-5-7-18-3)4-6-19-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyBRHFITQYFQMNEH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.85
Rot. Bonds11

About N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 62717999) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID62717999
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCOCCNCC(CCOCC(F)(F)F)CC(C)C
InChIInChI=1S/C13H26F3NO2/c1-11(2)8-12(9-17-5-7-18-3)4-6-19-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyBRHFITQYFQMNEH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 62717999) is N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is COCCNCC(CCOCC(F)(F)F)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is BRHFITQYFQMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-11(2)8-12(9-17-5-7-18-3)4-6-19-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 2.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62717999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).