2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H16F3NO2 — CID 62567457

IUPAC2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(14-4-3-13-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyDXMRGJUQZQBMRC-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.19
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62567457) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62567457
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(14-4-3-13-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyDXMRGJUQZQBMRC-UHFFFAOYSA-N
XLogP1.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.19
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-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
N,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62565222
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
N-(2-methoxyethyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 62571731
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
CID 104567163
N-[2-(2-methoxyethoxy)propyl]pentan-3-amine
CID 62567271
ethane;2-(2-methoxyethoxy)butane
CID 168922397

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62567457) is 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is COCCOC(C)CNCC(F)(F)F.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DXMRGJUQZQBMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-7(14-4-3-13-2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 215.21 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62567457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).