(1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine

C9H14F3N3O — CID 171775546

IUPAC(1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine
SMILESCC(C)(OC[C@H](N)c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-8(2,9(10,11)12)16-5-6(13)7-14-3-4-15-7/h3-4,6H,5,13H2,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyLQEGEYRTJQKHRY-LURJTMIESA-N
MW237.22 g/mol
LogP1.77
Rot. Bonds4

About (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine

(1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine (PubChem CID 171775546) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine.

Molecular Properties

Compound Name(1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine
PubChem CID171775546
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name(1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine
SMILESCC(C)(OC[C@H](N)c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-8(2,9(10,11)12)16-5-6(13)7-14-3-4-15-7/h3-4,6H,5,13H2,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyLQEGEYRTJQKHRY-LURJTMIESA-N
XLogP1.77
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine?
The IUPAC name of (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine (CID 171775546) is (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine.
What is the SMILES notation for (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine?
The canonical SMILES for (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine is CC(C)(OC[C@H](N)c1ncc[nH]1)C(F)(F)F.
What is the InChIKey of (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine?
The InChIKey is LQEGEYRTJQKHRY-LURJTMIESA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-8(2,9(10,11)12)16-5-6(13)7-14-3-4-15-7/h3-4,6H,5,13H2,1-2H3,(H,14,15)/t6-/m0/s1.
What are the key properties of (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine?
(1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine has a molecular weight of 237.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-imidazol-2-yl)-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethanamine is sourced from PubChem (CID 171775546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).