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

C13H22F3N3O — CID 65171712

IUPACN-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1CCCOCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-10(2)17-7-12-8-18-11(3)19(12)5-4-6-20-9-13(14,15)16/h8,10,17H,4-7,9H2,1-3H3
InChIKeyGSNAJBNYEVRGDR-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.66
Rot. Bonds8

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

N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 65171712) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID65171712
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1CCCOCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c1-10(2)17-7-12-8-18-11(3)19(12)5-4-6-20-9-13(14,15)16/h8,10,17H,4-7,9H2,1-3H3
InChIKeyGSNAJBNYEVRGDR-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine (CID 65171712) is N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine is Cc1ncc(CNC(C)C)n1CCCOCC(F)(F)F.
What is the InChIKey of N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is GSNAJBNYEVRGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-10(2)17-7-12-8-18-11(3)19(12)5-4-6-20-9-13(14,15)16/h8,10,17H,4-7,9H2,1-3H3.
What are the key properties of N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65171712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).