2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

C13H26F3NO2 — CID 62724860

IUPAC2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CC)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C13H26F3NO2/c1-4-12(5-2,10-17-7-9-18-3)6-8-19-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyCGQLMGPRNGQSDO-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.00
Rot. Bonds11

About 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine

2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62724860) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62724860
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CC)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C13H26F3NO2/c1-4-12(5-2,10-17-7-9-18-3)6-8-19-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyCGQLMGPRNGQSDO-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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Related Compounds

2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55083017
3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine
CID 55092871
2,2-diethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55106897
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
CID 55106985
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55111205
N-(2-methoxyethyl)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 55111767
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 60732572
4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 61814149
N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62529356
2-ethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530971
N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62550263
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 62567449

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62724860) is 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(CC)(CCOCC(F)(F)F)CNCCOC.
What is the InChIKey of 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is CGQLMGPRNGQSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-4-12(5-2,10-17-7-9-18-3)6-8-19-11-13(14,15)16/h17H,4-11H2,1-3H3.
What are the key properties of 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-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 2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62724860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).