(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine

C13H14F3N3 — CID 104941817

IUPAC(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
SMILESN[C@H](Cc1ccccc1)c1cncn1CC(F)(F)F
InChIInChI=1S/C13H14F3N3/c14-13(15,16)8-19-9-18-7-12(19)11(17)6-10-4-2-1-3-5-10/h1-5,7,9,11H,6,8,17H2/t11-/m1/s1
InChIKeyQDMVLXSSTRZNJE-LLVKDONJSA-N
MW269.27 g/mol
LogP2.69
Rot. Bonds4

About (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine

(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine (PubChem CID 104941817) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
PubChem CID104941817
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
SMILESN[C@H](Cc1ccccc1)c1cncn1CC(F)(F)F
InChIInChI=1S/C13H14F3N3/c14-13(15,16)8-19-9-18-7-12(19)11(17)6-10-4-2-1-3-5-10/h1-5,7,9,11H,6,8,17H2/t11-/m1/s1
InChIKeyQDMVLXSSTRZNJE-LLVKDONJSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 104942784
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
CID 104941453
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 82895393
(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
CID 104942051
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
(1R)-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943877

Frequently Asked Questions

What is the IUPAC name of (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine (CID 104941817) is (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine is N[C@H](Cc1ccccc1)c1cncn1CC(F)(F)F.
What is the InChIKey of (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
The InChIKey is QDMVLXSSTRZNJE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)8-19-9-18-7-12(19)11(17)6-10-4-2-1-3-5-10/h1-5,7,9,11H,6,8,17H2/t11-/m1/s1.
What are the key properties of (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine?
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).