2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine

C8H17F3N2O — CID 134350745

IUPAC2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine
SMILESCN(C)CCOCC(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(2)3-4-14-6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyJGOJYEXSONYRJU-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.70
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine

2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 134350745) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID134350745
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine
SMILESCN(C)CCOCC(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(2)3-4-14-6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyJGOJYEXSONYRJU-UHFFFAOYSA-N
XLogP0.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.70
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 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine (CID 134350745) is 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine is CN(C)CCOCC(CN)C(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is JGOJYEXSONYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-13(2)3-4-14-6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine?
2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 214.23 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxymethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 134350745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).