N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine

C11H18F3N3O — CID 55048803

IUPACN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-15-8-10-16-4-6-17(10)5-3-7-18-9-11(12,13)14/h4,6,15H,2-3,5,7-9H2,1H3
InChIKeyZXHQKZXEDMLZEV-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.96
Rot. Bonds8

About N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 55048803) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
PubChem CID55048803
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-15-8-10-16-4-6-17(10)5-3-7-18-9-11(12,13)14/h4,6,15H,2-3,5,7-9H2,1H3
InChIKeyZXHQKZXEDMLZEV-UHFFFAOYSA-N
XLogP1.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(2R)-4-(1-methylimidazol-2-yl)oxybutan-2-yl]azanium
CID 78225999
methyl[3-(2-methyl-1H-imidazol-1-yl)propyl]amine
CID 23004664
3-[(1-Methylimidazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 53615638
1-(Oxan-4-yl)-2-(trifluoromethyl)imidazole
CID 71665286
{[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}(methyl)amine
CID 16228773
3-(2-(trifluoromethyl)-1H-imidazol-1-yl)propan-1-amine
CID 82558903
1-(1-Ethoxyethyl)-2-methylimidazole
CID 14006520
3-(2,3-Dimethylimidazol-3-ium-1-yl)propan-1-amine
CID 59888515
1-Propoxymethyl-2-methylimidazole
CID 86063796
1-(3-Methoxypropyl)-3-methylimidazolium chloride
CID 87942526
2-(1,3-dimethylimidazol-1-ium-2-yl)ethyl N-methylcarbamate
CID 852477
methyl[3-(1-propyl-1H-imidazol-2-yl)propyl]amine
CID 64504195

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine (CID 55048803) is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1CCCOCC(F)(F)F.
What is the InChIKey of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is ZXHQKZXEDMLZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-15-8-10-16-4-6-17(10)5-3-7-18-9-11(12,13)14/h4,6,15H,2-3,5,7-9H2,1H3.
What are the key properties of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 55048803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).