N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine

C10H16F3N3O — CID 79985978

IUPACN-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-14-3-2-9-6-16(8-15-9)4-5-17-7-10(11,12)13/h6,8,14H,2-5,7H2,1H3
InChIKeyFUFQRWWXLOMHBS-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.22
Rot. Bonds7

About N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine

N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine (PubChem CID 79985978) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine
PubChem CID79985978
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CCOCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-14-3-2-9-6-16(8-15-9)4-5-17-7-10(11,12)13/h6,8,14H,2-5,7H2,1H3
InChIKeyFUFQRWWXLOMHBS-UHFFFAOYSA-N
XLogP1.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine (CID 79985978) is N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine is CNCCc1cn(CCOCC(F)(F)F)cn1.
What is the InChIKey of N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is FUFQRWWXLOMHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-14-3-2-9-6-16(8-15-9)4-5-17-7-10(11,12)13/h6,8,14H,2-5,7H2,1H3.
What are the key properties of N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine?
N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79985978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).