N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine

C9H19F3N2O — CID 62636452

IUPACN'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
SMILESCCN(C)CCNCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-14(2)6-4-13-5-7-15-8-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyZEECLWBIUQEMJS-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.11
Rot. Bonds8

About N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine

N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine (PubChem CID 62636452) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
PubChem CID62636452
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
SMILESCCN(C)CCNCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-14(2)6-4-13-5-7-15-8-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyZEECLWBIUQEMJS-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.11
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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Related Compounds

N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106723752
2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 82889118
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 114133320
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419
N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002465

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine (CID 62636452) is N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine is CCN(C)CCNCCOCC(F)(F)F.
What is the InChIKey of N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is ZEECLWBIUQEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-14(2)6-4-13-5-7-15-8-9(10,11)12/h13H,3-8H2,1-2H3.
What are the key properties of N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62636452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).