2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine

C12H20F3N3O — CID 103150871

IUPAC2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CCOCC(F)(F)F)[nH]1
InChIInChI=1S/C12H20F3N3O/c1-9(2)5-16-6-10-7-17-11(18-10)3-4-19-8-12(13,14)15/h7,9,16H,3-6,8H2,1-2H3,(H,17,18)
InChIKeySSQGVMTUTIGNNZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.28
Rot. Bonds8

About 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine (PubChem CID 103150871) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine
PubChem CID103150871
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CCOCC(F)(F)F)[nH]1
InChIInChI=1S/C12H20F3N3O/c1-9(2)5-16-6-10-7-17-11(18-10)3-4-19-8-12(13,14)15/h7,9,16H,3-6,8H2,1-2H3,(H,17,18)
InChIKeySSQGVMTUTIGNNZ-UHFFFAOYSA-N
XLogP2.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine (CID 103150871) is 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(CCOCC(F)(F)F)[nH]1.
What is the InChIKey of 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine?
The InChIKey is SSQGVMTUTIGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-9(2)5-16-6-10-7-17-11(18-10)3-4-19-8-12(13,14)15/h7,9,16H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 103150871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).