N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine

C13H14F3N3 — CID 105011558

IUPACN-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCNC(Cc1nccn1C)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3/c1-17-10(7-11-18-5-6-19(11)2)8-3-4-9(14)13(16)12(8)15/h3-6,10,17H,7H2,1-2H3
InChIKeyAFVUGVQYDSKCJY-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine

N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 105011558) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID105011558
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCNC(Cc1nccn1C)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3/c1-17-10(7-11-18-5-6-19(11)2)8-3-4-9(14)13(16)12(8)15/h3-6,10,17H,7H2,1-2H3
InChIKeyAFVUGVQYDSKCJY-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107954276
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486
[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
(1-methylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755971
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105322975

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 105011558) is N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine is CNC(Cc1nccn1C)c1ccc(F)c(F)c1F.
What is the InChIKey of N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is AFVUGVQYDSKCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-17-10(7-11-18-5-6-19(11)2)8-3-4-9(14)13(16)12(8)15/h3-6,10,17H,7H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine?
N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 269.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 105011558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).