2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H22F3NO2 — CID 112590123

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCCOC(C)(C)C
InChIInChI=1S/C11H22F3NO2/c1-9(7-15-8-11(12,13)14)16-5-6-17-10(2,3)4/h9,15H,5-8H2,1-4H3
InChIKeyBNBAUXJHPGKRSS-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds7

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 112590123) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID112590123
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCCOC(C)(C)C
InChIInChI=1S/C11H22F3NO2/c1-9(7-15-8-11(12,13)14)16-5-6-17-10(2,3)4/h9,15H,5-8H2,1-4H3
InChIKeyBNBAUXJHPGKRSS-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
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-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457
N-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112590002
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
CID 112589746
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62565222
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112589849
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 112590123) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)OCCOC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BNBAUXJHPGKRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-9(7-15-8-11(12,13)14)16-5-6-17-10(2,3)4/h9,15H,5-8H2,1-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 112590123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).