3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol

C8H17F3N2O — CID 63900879

IUPAC3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(C)CCNCC(O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-13(2)5-4-12-6-7(14)8(9,10)11/h7,12,14H,3-6H2,1-2H3
InChIKeySWTXRNVJRBUJNR-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.45
Rot. Bonds6

About 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol

3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900879) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900879
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCN(C)CCNCC(O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-13(2)5-4-12-6-7(14)8(9,10)11/h7,12,14H,3-6H2,1-2H3
InChIKeySWTXRNVJRBUJNR-UHFFFAOYSA-N
XLogP0.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol (CID 63900879) is 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol is CCN(C)CCNCC(O)C(F)(F)F.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SWTXRNVJRBUJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-3-13(2)5-4-12-6-7(14)8(9,10)11/h7,12,14H,3-6H2,1-2H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 214.23 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).