2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C12H25F3N2O — CID 62569585

IUPAC2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCCN(CC(C)C)C(C)CNCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)8-17(5-6-18-4)11(3)7-16-9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyDLXAFMAFSUXFCS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.13
Rot. Bonds9

About 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62569585) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62569585
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCCN(CC(C)C)C(C)CNCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-10(2)8-17(5-6-18-4)11(3)7-16-9-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyDLXAFMAFSUXFCS-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62569585) is 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is COCCN(CC(C)C)C(C)CNCC(F)(F)F.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is DLXAFMAFSUXFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-10(2)8-17(5-6-18-4)11(3)7-16-9-12(13,14)15/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62569585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).