3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine

C10H20F3NO2 — CID 66276197

IUPAC3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-15-7-4-5-14-6-8-16-9(2)10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyNUQCYEHNMNRFDG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds9

About 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine (PubChem CID 66276197) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
PubChem CID66276197
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-15-7-4-5-14-6-8-16-9(2)10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyNUQCYEHNMNRFDG-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 66276196
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]hexan-1-amine
CID 66276841
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
CID 62583063
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
3-ethoxy-N-(3-fluoropropyl)propan-1-amine
CID 81107172
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
1-[2-(2-ethoxyethylamino)ethoxy]ethanol
CID 163206684
3-ethoxy-N-(2-propan-2-ylsulfanylethyl)propan-1-amine
CID 62579302
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine (CID 66276197) is 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine is CCOCCCNCCOC(C)C(F)(F)F.
What is the InChIKey of 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The InChIKey is NUQCYEHNMNRFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-3-15-7-4-5-14-6-8-16-9(2)10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 66276197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).