2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C11H23F3N2O — CID 114228442

IUPAC2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCNC(CN(C)CC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C11H23F3N2O/c1-6-15-9(10(2,3)17-5)7-16(4)8-11(12,13)14/h9,15H,6-8H2,1-5H3
InChIKeyUMLPXBQGLUZUQR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.88
Rot. Bonds7

About 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 114228442) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID114228442
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCNC(CN(C)CC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C11H23F3N2O/c1-6-15-9(10(2,3)17-5)7-16(4)8-11(12,13)14/h9,15H,6-8H2,1-5H3
InChIKeyUMLPXBQGLUZUQR-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 114228442) is 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CCNC(CN(C)CC(F)(F)F)C(C)(C)OC.
What is the InChIKey of 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is UMLPXBQGLUZUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-6-15-9(10(2,3)17-5)7-16(4)8-11(12,13)14/h9,15H,6-8H2,1-5H3.
What are the key properties of 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methoxy-1-N,3-dimethyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 114228442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).