N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine

C9H14F3N3O — CID 106558033

IUPACN-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-7-5-15(6-9(10,11)12)8(14-7)13-3-4-16-2/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJNUAPKIFMXQPGO-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.81
Rot. Bonds5

About N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine

N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine (PubChem CID 106558033) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
PubChem CID106558033
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
SMILESCOCCNc1nc(C)cn1CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-7-5-15(6-9(10,11)12)8(14-7)13-3-4-16-2/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyJNUAPKIFMXQPGO-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine (CID 106558033) is N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine is COCCNc1nc(C)cn1CC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
The InChIKey is JNUAPKIFMXQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-7-5-15(6-9(10,11)12)8(14-7)13-3-4-16-2/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine?
N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine has a molecular weight of 237.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine is sourced from PubChem (CID 106558033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).