2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine

C13H22F3N3O — CID 65172290

IUPAC2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCc1ncc(CNCC(C)C)n1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-10(2)6-17-7-12-8-18-11(3)19(12)4-5-20-9-13(14,15)16/h8,10,17H,4-7,9H2,1-3H3
InChIKeyULEVOEONUFJVSO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.52
Rot. Bonds8

About 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 65172290) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID65172290
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCc1ncc(CNCC(C)C)n1CCOCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-10(2)6-17-7-12-8-18-11(3)19(12)4-5-20-9-13(14,15)16/h8,10,17H,4-7,9H2,1-3H3
InChIKeyULEVOEONUFJVSO-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.52
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 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine (CID 65172290) is 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine is Cc1ncc(CNCC(C)C)n1CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is ULEVOEONUFJVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-10(2)6-17-7-12-8-18-11(3)19(12)4-5-20-9-13(14,15)16/h8,10,17H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65172290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).