N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine

C13H14F3N3 — CID 114708258

IUPACN-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(F)c(F)cc1F
InChIInChI=1S/C13H14F3N3/c1-13(2,17-3)12-6-18-7-19(12)11-5-9(15)8(14)4-10(11)16/h4-7,17H,1-3H3
InChIKeyWTOOUNPMNAIRAC-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine

N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine (PubChem CID 114708258) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
PubChem CID114708258
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
SMILESCNC(C)(C)c1cncn1-c1cc(F)c(F)cc1F
InChIInChI=1S/C13H14F3N3/c1-13(2,17-3)12-6-18-7-19(12)11-5-9(15)8(14)4-10(11)16/h4-7,17H,1-3H3
InChIKeyWTOOUNPMNAIRAC-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107531998
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174
2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447022
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708321
2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708064
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 114708243
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114250840
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114705714

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine (CID 114708258) is N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine is CNC(C)(C)c1cncn1-c1cc(F)c(F)cc1F.
What is the InChIKey of N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
The InChIKey is WTOOUNPMNAIRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-13(2,17-3)12-6-18-7-19(12)11-5-9(15)8(14)4-10(11)16/h4-7,17H,1-3H3.
What are the key properties of N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine?
N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine has a molecular weight of 269.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114708258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).