2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine

C9H14F3N3O — CID 63109596

IUPAC2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CC(F)(F)F)[nH]1
InChIInChI=1S/C9H14F3N3O/c1-16-3-2-13-5-7-6-14-8(15-7)4-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyZSGRYRZMHPPRQN-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.25
Rot. Bonds6

About 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 63109596) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID63109596
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CC(F)(F)F)[nH]1
InChIInChI=1S/C9H14F3N3O/c1-16-3-2-13-5-7-6-14-8(15-7)4-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyZSGRYRZMHPPRQN-UHFFFAOYSA-N
XLogP1.25
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 63109596) is 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine is COCCNCc1cnc(CC(F)(F)F)[nH]1.
What is the InChIKey of 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is ZSGRYRZMHPPRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-16-3-2-13-5-7-6-14-8(15-7)4-9(10,11)12/h6,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 237.22 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63109596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).