1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine

C14H16F3N3 — CID 63095821

IUPAC1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-10(18)7-13-19-5-6-20(13)9-11-3-2-4-12(8-11)14(15,16)17/h2-6,8,10H,7,9,18H2,1H3
InChIKeyFWGLUAQKFIKQTL-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.84
Rot. Bonds4

About 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine

1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine (PubChem CID 63095821) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
PubChem CID63095821
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-10(18)7-13-19-5-6-20(13)9-11-3-2-4-12(8-11)14(15,16)17/h2-6,8,10H,7,9,18H2,1H3
InChIKeyFWGLUAQKFIKQTL-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
1-(1-methylimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 79761514
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
3-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]butanamide
CID 83280017
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413
3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558720
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
CID 79107382
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine (CID 63095821) is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine is CC(N)Cc1nccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine?
The InChIKey is FWGLUAQKFIKQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-10(18)7-13-19-5-6-20(13)9-11-3-2-4-12(8-11)14(15,16)17/h2-6,8,10H,7,9,18H2,1H3.
What are the key properties of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine?
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine has a molecular weight of 283.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 63095821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).