1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine

C11H18F3N3O2 — CID 106573359

IUPAC1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-9-7-17(4-6-18-2)10(16-9)15-3-5-19-8-11(12,13)14/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyRGSPZCKYNCFBGK-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.83
Rot. Bonds8

About 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine

1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine (PubChem CID 106573359) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
PubChem CID106573359
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
SMILESCOCCn1cc(C)nc1NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-9-7-17(4-6-18-2)10(16-9)15-3-5-19-8-11(12,13)14/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyRGSPZCKYNCFBGK-UHFFFAOYSA-N
XLogP1.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440
1-(1-methoxypropan-2-yl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine
CID 106573349
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-(2-cyclopentyloxyethyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106573155
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106564443
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106581885
N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
CID 106580263
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
1-(2-methoxyethyl)-4-methyl-N-[(2-methylcyclopropyl)methyl]imidazol-2-amine
CID 106580797
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine (CID 106573359) is 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine is COCCn1cc(C)nc1NCCOCC(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
The InChIKey is RGSPZCKYNCFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-9-7-17(4-6-18-2)10(16-9)15-3-5-19-8-11(12,13)14/h7H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine?
1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine has a molecular weight of 281.28 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 106573359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).