N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine

C15H18F3N3 — CID 105011526

IUPACN-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H18F3N3/c1-3-4-19-13(9-14-20-5-6-21(14)2)15-11(17)7-10(16)8-12(15)18/h5-8,13,19H,3-4,9H2,1-2H3
InChIKeyUTCDRUSGDGWIDF-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine

N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine (PubChem CID 105011526) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
PubChem CID105011526
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H18F3N3/c1-3-4-19-13(9-14-20-5-6-21(14)2)15-11(17)7-10(16)8-12(15)18/h5-8,13,19H,3-4,9H2,1-2H3
InChIKeyUTCDRUSGDGWIDF-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105322975
N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 104997839
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105167116
N-[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011340
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 105340372
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
N-[1-(3-iodophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011328
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
N-[1-(4-bromo-2-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011211
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine (CID 105011526) is N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1nccn1C)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
The InChIKey is UTCDRUSGDGWIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-4-19-13(9-14-20-5-6-21(14)2)15-11(17)7-10(16)8-12(15)18/h5-8,13,19H,3-4,9H2,1-2H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105011526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).