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

C9H15F2N3 — CID 103516863

IUPAC3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCCn1ccnc1CC(NC)C(F)F
InChIInChI=1S/C9H15F2N3/c1-3-14-5-4-13-8(14)6-7(12-2)9(10)11/h4-5,7,9,12H,3,6H2,1-2H3
InChIKeyYGIHUUUPURAGPM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.30
Rot. Bonds5

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

3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103516863) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103516863
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCCn1ccnc1CC(NC)C(F)F
InChIInChI=1S/C9H15F2N3/c1-3-14-5-4-13-8(14)6-7(12-2)9(10)11/h4-5,7,9,12H,3,6H2,1-2H3
InChIKeyYGIHUUUPURAGPM-UHFFFAOYSA-N
XLogP1.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 105009408
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
[3-ethyl-1-(1-ethylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105321751
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165968
N-[(1-ethylimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 115405976
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
[1-(1-ethylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226285
[3-ethoxy-1-(1-ethylimidazol-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105272596
3-cyclopropyl-N-ethyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009226

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine (CID 103516863) is 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine is CCn1ccnc1CC(NC)C(F)F.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is YGIHUUUPURAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-3-14-5-4-13-8(14)6-7(12-2)9(10)11/h4-5,7,9,12H,3,6H2,1-2H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 203.24 g/mol, XLogP of 1.30, 5 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-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103516863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).