3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine

C9H14F3N3 — CID 105009494

IUPAC3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCCn1ccnc1CC(NC)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-3-15-5-4-14-8(15)6-7(13-2)9(10,11)12/h4-5,7,13H,3,6H2,1-2H3
InChIKeyOSHXFPYTASXXER-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.60
Rot. Bonds4

About 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine

3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine (PubChem CID 105009494) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
PubChem CID105009494
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCCn1ccnc1CC(NC)C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-3-15-5-4-14-8(15)6-7(13-2)9(10,11)12/h4-5,7,13H,3,6H2,1-2H3
InChIKeyOSHXFPYTASXXER-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863
N-ethyl-1-(1-ethylimidazol-2-yl)-3,3-dimethylbutan-2-amine
CID 63198335
1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312573
[3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylpentan-2-yl]hydrazine
CID 105274938
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165968
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine (CID 105009494) is 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine is CCn1ccnc1CC(NC)C(F)(F)F.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The InChIKey is OSHXFPYTASXXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-3-15-5-4-14-8(15)6-7(13-2)9(10,11)12/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine?
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine is sourced from PubChem (CID 105009494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).